USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 709 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS :FLIP no HE2:sc= -1.28 F(o=-3.4!,f=-1.3) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0399 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS :FLIP no HE2:sc= -0.0804 F(o=-0.71,f=-0.08) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -109:sc= 1 USER MOD Single : A 64 GLN : amide:sc= -0.113 K(o=-0.11,f=-0.76) USER MOD Single : A 65 THR OG1 : rot -72:sc= 1.11 USER MOD Single : A 67 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.247) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 170:sc=-0.000137 (180deg=-0.109) USER MOD Single : A 73 GLN : amide:sc= -3.39! C(o=-3.4!,f=-7.2!) USER MOD Single : A 78 ASN : amide:sc= -1.63 K(o=-1.6,f=-6.1!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -51:sc= 0.501 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc=-0.000528 X(o=-0.00053,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.0572 K(o=-0.057,f=-1.7!) USER MOD Single : A 97 GLN : amide:sc= -1.39 X(o=-1.4,f=-1.3) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 104 CYS SG : rot 180:sc= -0.323 USER MOD Single : A 110 ASN : amide:sc= -0.378 K(o=-0.38,f=-1.6!) USER MOD Single : A 111 MET CE :methyl 179:sc= -0.309 (180deg=-0.313) USER MOD ----------------------------------------------------------------- ATOM 83 N TYR A 9 -8.307 -14.131 4.290 1.00 0.00 N ATOM 84 CA TYR A 9 -7.996 -14.543 2.932 1.00 0.00 C ATOM 85 C TYR A 9 -7.463 -15.977 2.903 1.00 0.00 C ATOM 86 O TYR A 9 -6.899 -16.454 3.886 1.00 0.00 O ATOM 87 CB TYR A 9 -6.899 -13.594 2.444 1.00 0.00 C ATOM 88 CG TYR A 9 -7.427 -12.318 1.787 1.00 0.00 C ATOM 89 CD1 TYR A 9 -8.457 -12.389 0.871 1.00 0.00 C ATOM 90 CD2 TYR A 9 -6.873 -11.095 2.110 1.00 0.00 C ATOM 91 CE1 TYR A 9 -8.954 -11.187 0.252 1.00 0.00 C ATOM 92 CE2 TYR A 9 -7.370 -9.894 1.490 1.00 0.00 C ATOM 93 CZ TYR A 9 -8.386 -9.999 0.592 1.00 0.00 C ATOM 94 OH TYR A 9 -8.856 -8.865 0.007 1.00 0.00 O ATOM 0 HA TYR A 9 -8.888 -14.508 2.306 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.267 -13.321 3.289 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -6.266 -14.123 1.731 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -8.890 -13.346 0.618 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.067 -11.039 2.827 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -9.760 -11.228 -0.466 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.945 -8.931 1.733 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.358 -8.092 0.345 1.00 0.00 H new ATOM 104 N ILE A 10 -7.661 -16.625 1.763 1.00 0.00 N ATOM 105 CA ILE A 10 -7.208 -17.994 1.593 1.00 0.00 C ATOM 106 C ILE A 10 -5.678 -18.024 1.588 1.00 0.00 C ATOM 107 O ILE A 10 -5.074 -19.084 1.744 1.00 0.00 O ATOM 108 CB ILE A 10 -7.839 -18.616 0.345 1.00 0.00 C ATOM 109 CG1 ILE A 10 -7.226 -18.030 -0.929 1.00 0.00 C ATOM 110 CG2 ILE A 10 -9.361 -18.469 0.369 1.00 0.00 C ATOM 111 CD1 ILE A 10 -6.070 -18.897 -1.430 1.00 0.00 C ATOM 0 H ILE A 10 -8.129 -16.226 0.949 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.537 -18.610 2.430 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.619 -19.684 0.347 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.990 -17.954 -1.703 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.869 -17.019 -0.733 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -9.784 -18.919 -0.529 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -9.761 -18.971 1.250 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.624 -17.412 0.403 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.652 -18.458 -2.336 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.297 -18.951 -0.663 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.436 -19.900 -1.648 1.00 0.00 H new ATOM 123 N PHE A 11 -5.096 -16.848 1.408 1.00 0.00 N ATOM 124 CA PHE A 11 -3.648 -16.726 1.381 1.00 0.00 C ATOM 125 C PHE A 11 -3.133 -16.030 2.643 1.00 0.00 C ATOM 126 O PHE A 11 -3.896 -15.376 3.351 1.00 0.00 O ATOM 127 CB PHE A 11 -3.294 -15.872 0.163 1.00 0.00 C ATOM 128 CG PHE A 11 -4.016 -14.523 0.116 1.00 0.00 C ATOM 129 CD1 PHE A 11 -5.279 -14.445 -0.380 1.00 0.00 C ATOM 130 CD2 PHE A 11 -3.394 -13.403 0.572 1.00 0.00 C ATOM 131 CE1 PHE A 11 -5.950 -13.194 -0.423 1.00 0.00 C ATOM 132 CE2 PHE A 11 -4.065 -12.152 0.529 1.00 0.00 C ATOM 133 CZ PHE A 11 -5.328 -12.074 0.032 1.00 0.00 C ATOM 0 H PHE A 11 -5.600 -15.971 1.279 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.192 -17.715 1.331 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.218 -15.697 0.155 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.532 -16.432 -0.742 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -5.773 -15.335 -0.742 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.391 -13.465 0.967 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -6.954 -13.132 -0.817 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.572 -11.262 0.891 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.837 -11.122 -0.001 1.00 0.00 H new ATOM 143 N PRO A 12 -1.806 -16.201 2.893 1.00 0.00 N ATOM 144 CA PRO A 12 -1.181 -15.598 4.058 1.00 0.00 C ATOM 145 C PRO A 12 -0.985 -14.094 3.857 1.00 0.00 C ATOM 146 O PRO A 12 -0.307 -13.672 2.922 1.00 0.00 O ATOM 147 CB PRO A 12 0.128 -16.350 4.233 1.00 0.00 C ATOM 148 CG PRO A 12 0.405 -17.024 2.899 1.00 0.00 C ATOM 149 CD PRO A 12 -0.872 -16.970 2.076 1.00 0.00 C ATOM 0 HA PRO A 12 -1.795 -15.678 4.955 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.936 -15.670 4.502 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.051 -17.086 5.034 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.217 -16.518 2.377 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.718 -18.057 3.051 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.702 -16.491 1.112 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.255 -17.970 1.872 1.00 0.00 H new ATOM 157 N HIS A 13 -1.591 -13.327 4.750 1.00 0.00 N ATOM 158 CA HIS A 13 -1.492 -11.878 4.684 1.00 0.00 C ATOM 159 C HIS A 13 -1.273 -11.314 6.089 1.00 0.00 C ATOM 160 O HIS A 13 -1.338 -12.048 7.075 1.00 0.00 O ATOM 161 CB HIS A 13 -2.717 -11.281 3.989 1.00 0.00 C ATOM 162 CG HIS A 13 -3.785 -10.794 4.939 1.00 0.00 C ATOM 163 ND1 HIS A 13 -4.401 -11.416 5.984 1.00 0.00 N flip ATOM 164 CD2 HIS A 13 -4.333 -9.524 4.863 1.00 0.00 C flip ATOM 165 CE1 HIS A 13 -5.275 -10.573 6.519 1.00 0.00 C flip ATOM 166 NE2 HIS A 13 -5.235 -9.400 5.825 1.00 0.00 N flip ATOM 0 H HIS A 13 -2.153 -13.681 5.524 1.00 0.00 H new ATOM 0 HA HIS A 13 -0.630 -11.596 4.079 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -2.397 -10.449 3.361 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.149 -12.032 3.327 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -4.221 -12.369 6.301 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -4.070 -8.764 4.142 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -5.913 -10.782 7.365 1.00 0.00 H new ATOM 174 N ALA A 14 -1.020 -10.014 6.137 1.00 0.00 N ATOM 175 CA ALA A 14 -0.792 -9.342 7.405 1.00 0.00 C ATOM 176 C ALA A 14 -1.321 -7.910 7.321 1.00 0.00 C ATOM 177 O ALA A 14 -1.051 -7.201 6.352 1.00 0.00 O ATOM 178 CB ALA A 14 0.698 -9.395 7.750 1.00 0.00 C ATOM 0 H ALA A 14 -0.968 -9.408 5.318 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.331 -9.845 8.208 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.869 -8.891 8.701 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.017 -10.434 7.828 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.271 -8.897 6.967 1.00 0.00 H new ATOM 184 N ARG A 15 -2.064 -7.526 8.348 1.00 0.00 N ATOM 185 CA ARG A 15 -2.632 -6.189 8.402 1.00 0.00 C ATOM 186 C ARG A 15 -1.868 -5.327 9.408 1.00 0.00 C ATOM 187 O ARG A 15 -2.170 -5.342 10.600 1.00 0.00 O ATOM 188 CB ARG A 15 -4.110 -6.235 8.799 1.00 0.00 C ATOM 189 CG ARG A 15 -4.938 -6.973 7.744 1.00 0.00 C ATOM 190 CD ARG A 15 -6.300 -7.381 8.305 1.00 0.00 C ATOM 191 NE ARG A 15 -6.174 -8.637 9.079 1.00 0.00 N ATOM 192 CZ ARG A 15 -7.163 -9.173 9.807 1.00 0.00 C ATOM 193 NH1 ARG A 15 -8.356 -8.567 9.866 1.00 0.00 N ATOM 194 NH2 ARG A 15 -6.958 -10.316 10.477 1.00 0.00 N ATOM 0 H ARG A 15 -2.286 -8.117 9.149 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.547 -5.752 7.407 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.216 -6.732 9.763 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.490 -5.220 8.920 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.076 -6.334 6.872 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.399 -7.859 7.407 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.692 -6.589 8.943 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.012 -7.516 7.491 1.00 0.00 H new ATOM 0 HE ARG A 15 -5.278 -9.125 9.057 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.512 -7.697 9.357 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.109 -8.975 10.420 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -6.049 -10.777 10.432 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -7.711 -10.724 11.031 1.00 0.00 H new ATOM 208 N ILE A 16 -0.891 -4.595 8.891 1.00 0.00 N ATOM 209 CA ILE A 16 -0.081 -3.728 9.730 1.00 0.00 C ATOM 210 C ILE A 16 -0.425 -2.268 9.429 1.00 0.00 C ATOM 211 O ILE A 16 -0.348 -1.832 8.281 1.00 0.00 O ATOM 212 CB ILE A 16 1.404 -4.057 9.564 1.00 0.00 C ATOM 213 CG1 ILE A 16 1.754 -5.377 10.255 1.00 0.00 C ATOM 214 CG2 ILE A 16 2.279 -2.903 10.055 1.00 0.00 C ATOM 215 CD1 ILE A 16 1.436 -6.570 9.351 1.00 0.00 C ATOM 0 H ILE A 16 -0.642 -4.585 7.902 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.306 -3.898 10.783 1.00 0.00 H new ATOM 0 HB ILE A 16 1.609 -4.186 8.501 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.812 -5.386 10.516 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.195 -5.463 11.187 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.330 -3.163 9.926 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.054 -2.005 9.480 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.078 -2.718 11.110 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.694 -7.496 9.866 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.373 -6.572 9.112 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.015 -6.493 8.430 1.00 0.00 H new ATOM 227 N LYS A 17 -0.798 -1.552 10.480 1.00 0.00 N ATOM 228 CA LYS A 17 -1.154 -0.151 10.343 1.00 0.00 C ATOM 229 C LYS A 17 0.100 0.709 10.516 1.00 0.00 C ATOM 230 O LYS A 17 0.793 0.607 11.528 1.00 0.00 O ATOM 231 CB LYS A 17 -2.285 0.212 11.307 1.00 0.00 C ATOM 232 CG LYS A 17 -1.818 1.236 12.342 1.00 0.00 C ATOM 233 CD LYS A 17 -0.976 0.569 13.432 1.00 0.00 C ATOM 234 CE LYS A 17 -1.760 0.464 14.742 1.00 0.00 C ATOM 235 NZ LYS A 17 -0.946 -0.206 15.780 1.00 0.00 N ATOM 0 H LYS A 17 -0.861 -1.917 11.430 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.542 0.047 9.344 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.129 0.615 10.747 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.638 -0.686 11.813 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.233 2.014 11.851 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.683 1.723 12.793 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.672 -0.425 13.105 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.064 1.143 13.595 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.046 1.459 15.082 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.682 -0.094 14.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.493 -0.269 16.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.694 -1.163 15.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.079 0.342 15.949 1.00 0.00 H new ATOM 249 N ILE A 18 0.354 1.536 9.513 1.00 0.00 N ATOM 250 CA ILE A 18 1.513 2.413 9.542 1.00 0.00 C ATOM 251 C ILE A 18 1.173 3.674 10.338 1.00 0.00 C ATOM 252 O ILE A 18 0.237 4.395 9.996 1.00 0.00 O ATOM 253 CB ILE A 18 2.005 2.696 8.121 1.00 0.00 C ATOM 254 CG1 ILE A 18 2.120 1.403 7.312 1.00 0.00 C ATOM 255 CG2 ILE A 18 3.320 3.479 8.142 1.00 0.00 C ATOM 256 CD1 ILE A 18 1.578 1.593 5.894 1.00 0.00 C ATOM 0 H ILE A 18 -0.222 1.618 8.675 1.00 0.00 H new ATOM 0 HA ILE A 18 2.345 1.929 10.053 1.00 0.00 H new ATOM 0 HB ILE A 18 1.265 3.322 7.622 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.163 1.089 7.267 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.569 0.607 7.812 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.648 3.667 7.120 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.170 4.429 8.655 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.080 2.900 8.666 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.672 0.659 5.340 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.528 1.883 5.942 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.147 2.373 5.388 1.00 0.00 H new ATOM 268 N THR A 19 1.952 3.902 11.385 1.00 0.00 N ATOM 269 CA THR A 19 1.744 5.064 12.233 1.00 0.00 C ATOM 270 C THR A 19 2.890 6.063 12.058 1.00 0.00 C ATOM 271 O THR A 19 4.059 5.702 12.186 1.00 0.00 O ATOM 272 CB THR A 19 1.581 4.575 13.673 1.00 0.00 C ATOM 273 OG1 THR A 19 2.030 3.223 13.634 1.00 0.00 O ATOM 274 CG2 THR A 19 0.113 4.468 14.092 1.00 0.00 C ATOM 0 H THR A 19 2.728 3.302 11.666 1.00 0.00 H new ATOM 0 HA THR A 19 0.838 5.602 11.952 1.00 0.00 H new ATOM 0 HB THR A 19 2.103 5.253 14.348 1.00 0.00 H new ATOM 0 HG1 THR A 19 1.960 2.829 14.529 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.053 4.117 15.122 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.360 5.447 14.014 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.402 3.764 13.438 1.00 0.00 H new ATOM 449 N LEU A 32 5.742 8.802 5.386 1.00 0.00 N ATOM 450 CA LEU A 32 5.772 7.351 5.446 1.00 0.00 C ATOM 451 C LEU A 32 6.909 6.830 4.565 1.00 0.00 C ATOM 452 O LEU A 32 7.412 5.729 4.779 1.00 0.00 O ATOM 453 CB LEU A 32 4.402 6.771 5.086 1.00 0.00 C ATOM 454 CG LEU A 32 3.412 6.619 6.242 1.00 0.00 C ATOM 455 CD1 LEU A 32 3.577 7.752 7.257 1.00 0.00 C ATOM 456 CD2 LEU A 32 1.976 6.515 5.726 1.00 0.00 C ATOM 0 HA LEU A 32 5.978 7.018 6.463 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.948 7.408 4.327 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.552 5.792 4.632 1.00 0.00 H new ATOM 0 HG LEU A 32 3.634 5.687 6.761 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.862 7.620 8.069 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.590 7.735 7.660 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.397 8.709 6.767 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.293 6.408 6.569 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.724 7.416 5.167 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.886 5.647 5.073 1.00 0.00 H new ATOM 468 N GLY A 33 7.284 7.650 3.593 1.00 0.00 N ATOM 469 CA GLY A 33 8.354 7.287 2.679 1.00 0.00 C ATOM 470 C GLY A 33 8.181 5.851 2.176 1.00 0.00 C ATOM 471 O GLY A 33 9.007 4.986 2.462 1.00 0.00 O ATOM 0 H GLY A 33 6.866 8.564 3.419 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.363 7.974 1.833 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.316 7.387 3.181 1.00 0.00 H new ATOM 475 N ILE A 34 7.103 5.644 1.434 1.00 0.00 N ATOM 476 CA ILE A 34 6.812 4.330 0.888 1.00 0.00 C ATOM 477 C ILE A 34 6.522 4.457 -0.608 1.00 0.00 C ATOM 478 O ILE A 34 5.790 5.351 -1.029 1.00 0.00 O ATOM 479 CB ILE A 34 5.686 3.659 1.678 1.00 0.00 C ATOM 480 CG1 ILE A 34 5.379 2.267 1.121 1.00 0.00 C ATOM 481 CG2 ILE A 34 4.441 4.547 1.720 1.00 0.00 C ATOM 482 CD1 ILE A 34 4.951 1.313 2.237 1.00 0.00 C ATOM 0 H ILE A 34 6.421 6.365 1.198 1.00 0.00 H new ATOM 0 HA ILE A 34 7.677 3.675 0.991 1.00 0.00 H new ATOM 0 HB ILE A 34 6.022 3.527 2.706 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.588 2.336 0.374 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.260 1.871 0.617 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.656 4.047 2.287 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.686 5.495 2.198 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.092 4.733 0.704 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.739 0.331 1.815 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.753 1.227 2.970 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.056 1.700 2.723 1.00 0.00 H new ATOM 494 N ARG A 35 7.113 3.549 -1.372 1.00 0.00 N ATOM 495 CA ARG A 35 6.927 3.547 -2.813 1.00 0.00 C ATOM 496 C ARG A 35 6.176 2.288 -3.251 1.00 0.00 C ATOM 497 O ARG A 35 6.727 1.189 -3.213 1.00 0.00 O ATOM 498 CB ARG A 35 8.270 3.611 -3.541 1.00 0.00 C ATOM 499 CG ARG A 35 8.712 5.062 -3.753 1.00 0.00 C ATOM 500 CD ARG A 35 7.849 5.748 -4.814 1.00 0.00 C ATOM 501 NE ARG A 35 7.008 6.791 -4.185 1.00 0.00 N ATOM 502 CZ ARG A 35 7.481 7.952 -3.711 1.00 0.00 C ATOM 503 NH1 ARG A 35 8.791 8.225 -3.792 1.00 0.00 N ATOM 504 NH2 ARG A 35 6.644 8.839 -3.156 1.00 0.00 N ATOM 0 H ARG A 35 7.721 2.810 -1.020 1.00 0.00 H new ATOM 0 HA ARG A 35 6.343 4.430 -3.073 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.026 3.078 -2.964 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.190 3.107 -4.504 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.642 5.609 -2.813 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.758 5.086 -4.058 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.485 6.194 -5.579 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.218 5.012 -5.313 1.00 0.00 H new ATOM 0 HE ARG A 35 6.006 6.615 -4.107 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.428 7.549 -4.214 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.151 9.109 -3.431 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.647 8.630 -3.094 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.003 9.723 -2.795 1.00 0.00 H new ATOM 518 N ILE A 36 4.931 2.491 -3.655 1.00 0.00 N ATOM 519 CA ILE A 36 4.100 1.385 -4.100 1.00 0.00 C ATOM 520 C ILE A 36 3.821 1.531 -5.598 1.00 0.00 C ATOM 521 O ILE A 36 3.219 2.514 -6.027 1.00 0.00 O ATOM 522 CB ILE A 36 2.834 1.290 -3.245 1.00 0.00 C ATOM 523 CG1 ILE A 36 3.183 1.072 -1.772 1.00 0.00 C ATOM 524 CG2 ILE A 36 1.893 0.206 -3.778 1.00 0.00 C ATOM 525 CD1 ILE A 36 1.946 1.238 -0.886 1.00 0.00 C ATOM 0 H ILE A 36 4.478 3.404 -3.684 1.00 0.00 H new ATOM 0 HA ILE A 36 4.622 0.438 -3.964 1.00 0.00 H new ATOM 0 HB ILE A 36 2.303 2.240 -3.313 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.600 0.074 -1.637 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.951 1.783 -1.467 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.001 0.159 -3.153 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.606 0.445 -4.802 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.401 -0.758 -3.759 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.221 1.078 0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.546 2.245 -1.005 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.189 0.510 -1.178 1.00 0.00 H new ATOM 537 N VAL A 37 4.275 0.540 -6.351 1.00 0.00 N ATOM 538 CA VAL A 37 4.082 0.546 -7.791 1.00 0.00 C ATOM 539 C VAL A 37 2.782 -0.184 -8.130 1.00 0.00 C ATOM 540 O VAL A 37 2.651 -1.380 -7.870 1.00 0.00 O ATOM 541 CB VAL A 37 5.305 -0.056 -8.485 1.00 0.00 C ATOM 542 CG1 VAL A 37 5.006 -0.362 -9.954 1.00 0.00 C ATOM 543 CG2 VAL A 37 6.519 0.866 -8.354 1.00 0.00 C ATOM 0 H VAL A 37 4.776 -0.272 -5.991 1.00 0.00 H new ATOM 0 HA VAL A 37 3.986 1.567 -8.159 1.00 0.00 H new ATOM 0 HB VAL A 37 5.543 -0.996 -7.988 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.892 -0.789 -10.424 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.183 -1.074 -10.017 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.730 0.558 -10.469 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.375 0.414 -8.856 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.296 1.829 -8.813 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.753 1.012 -7.299 1.00 0.00 H new ATOM 553 N GLY A 38 1.852 0.563 -8.707 1.00 0.00 N ATOM 554 CA GLY A 38 0.567 0.001 -9.085 1.00 0.00 C ATOM 555 C GLY A 38 0.583 -0.477 -10.538 1.00 0.00 C ATOM 556 O GLY A 38 1.609 -0.392 -11.211 1.00 0.00 O ATOM 0 H GLY A 38 1.963 1.554 -8.922 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.323 -0.833 -8.427 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.214 0.750 -8.953 1.00 0.00 H new ATOM 560 N GLY A 39 -0.565 -0.970 -10.978 1.00 0.00 N ATOM 561 CA GLY A 39 -0.695 -1.462 -12.339 1.00 0.00 C ATOM 562 C GLY A 39 0.437 -2.432 -12.682 1.00 0.00 C ATOM 563 O GLY A 39 1.078 -2.300 -13.724 1.00 0.00 O ATOM 0 H GLY A 39 -1.414 -1.039 -10.416 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.656 -1.962 -12.458 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.684 -0.623 -13.035 1.00 0.00 H new ATOM 567 N LYS A 40 0.649 -3.385 -11.786 1.00 0.00 N ATOM 568 CA LYS A 40 1.693 -4.376 -11.981 1.00 0.00 C ATOM 569 C LYS A 40 1.063 -5.769 -12.037 1.00 0.00 C ATOM 570 O LYS A 40 0.166 -6.081 -11.255 1.00 0.00 O ATOM 571 CB LYS A 40 2.775 -4.234 -10.908 1.00 0.00 C ATOM 572 CG LYS A 40 4.120 -4.759 -11.413 1.00 0.00 C ATOM 573 CD LYS A 40 4.927 -3.646 -12.085 1.00 0.00 C ATOM 574 CE LYS A 40 6.294 -4.158 -12.541 1.00 0.00 C ATOM 575 NZ LYS A 40 6.395 -4.123 -14.018 1.00 0.00 N ATOM 0 H LYS A 40 0.115 -3.492 -10.923 1.00 0.00 H new ATOM 0 HA LYS A 40 2.198 -4.214 -12.933 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.873 -3.187 -10.622 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.479 -4.782 -10.013 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.688 -5.173 -10.580 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.955 -5.571 -12.121 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.376 -3.259 -12.942 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.059 -2.817 -11.390 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.083 -3.547 -12.102 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.445 -5.177 -12.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.329 -4.474 -14.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.654 -4.725 -14.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.272 -3.145 -14.351 1.00 0.00 H new ATOM 589 N GLU A 41 1.558 -6.571 -12.969 1.00 0.00 N ATOM 590 CA GLU A 41 1.056 -7.924 -13.137 1.00 0.00 C ATOM 591 C GLU A 41 1.381 -8.768 -11.903 1.00 0.00 C ATOM 592 O GLU A 41 2.481 -8.682 -11.361 1.00 0.00 O ATOM 593 CB GLU A 41 1.619 -8.564 -14.406 1.00 0.00 C ATOM 594 CG GLU A 41 0.499 -9.138 -15.276 1.00 0.00 C ATOM 595 CD GLU A 41 0.314 -8.309 -16.548 1.00 0.00 C ATOM 596 OE1 GLU A 41 0.209 -7.071 -16.409 1.00 0.00 O ATOM 597 OE2 GLU A 41 0.282 -8.932 -17.632 1.00 0.00 O ATOM 0 H GLU A 41 2.302 -6.309 -13.616 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.028 -7.878 -13.245 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.180 -7.822 -14.973 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.318 -9.356 -14.138 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.731 -10.170 -15.540 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.433 -9.156 -14.711 1.00 0.00 H new ATOM 604 N ILE A 42 0.406 -9.567 -11.497 1.00 0.00 N ATOM 605 CA ILE A 42 0.575 -10.426 -10.338 1.00 0.00 C ATOM 606 C ILE A 42 0.681 -11.881 -10.799 1.00 0.00 C ATOM 607 O ILE A 42 -0.205 -12.384 -11.489 1.00 0.00 O ATOM 608 CB ILE A 42 -0.542 -10.183 -9.322 1.00 0.00 C ATOM 609 CG1 ILE A 42 -0.801 -8.686 -9.140 1.00 0.00 C ATOM 610 CG2 ILE A 42 -0.237 -10.879 -7.994 1.00 0.00 C ATOM 611 CD1 ILE A 42 -2.115 -8.444 -8.395 1.00 0.00 C ATOM 0 H ILE A 42 -0.505 -9.638 -11.951 1.00 0.00 H new ATOM 0 HA ILE A 42 1.503 -10.186 -9.819 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.460 -10.623 -9.711 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.023 -8.235 -8.587 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.836 -8.198 -10.114 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.047 -10.690 -7.290 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.143 -11.952 -8.159 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.696 -10.491 -7.586 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.275 -7.372 -8.279 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.940 -8.875 -8.963 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.067 -8.912 -7.412 1.00 0.00 H new ATOM 623 N PRO A 43 1.802 -12.535 -10.390 1.00 0.00 N ATOM 624 CA PRO A 43 2.035 -13.922 -10.753 1.00 0.00 C ATOM 625 C PRO A 43 1.146 -14.860 -9.933 1.00 0.00 C ATOM 626 O PRO A 43 1.609 -15.482 -8.979 1.00 0.00 O ATOM 627 CB PRO A 43 3.517 -14.148 -10.512 1.00 0.00 C ATOM 628 CG PRO A 43 3.966 -13.026 -9.589 1.00 0.00 C ATOM 629 CD PRO A 43 2.872 -11.972 -9.572 1.00 0.00 C ATOM 0 HA PRO A 43 1.777 -14.134 -11.791 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.694 -15.122 -10.057 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.073 -14.128 -11.450 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.145 -13.407 -8.584 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.905 -12.596 -9.939 1.00 0.00 H new ATOM 0 HD2 PRO A 43 2.531 -11.772 -8.556 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.227 -11.026 -9.981 1.00 0.00 H new ATOM 637 N GLY A 44 -0.114 -14.932 -10.337 1.00 0.00 N ATOM 638 CA GLY A 44 -1.072 -15.784 -9.652 1.00 0.00 C ATOM 639 C GLY A 44 -2.321 -14.996 -9.254 1.00 0.00 C ATOM 640 O GLY A 44 -2.546 -14.735 -8.074 1.00 0.00 O ATOM 0 H GLY A 44 -0.494 -14.415 -11.130 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.353 -16.615 -10.299 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.611 -16.214 -8.763 1.00 0.00 H new ATOM 644 N HIS A 45 -3.102 -14.640 -10.264 1.00 0.00 N ATOM 645 CA HIS A 45 -4.323 -13.886 -10.035 1.00 0.00 C ATOM 646 C HIS A 45 -5.020 -13.620 -11.371 1.00 0.00 C ATOM 647 O HIS A 45 -5.502 -12.515 -11.615 1.00 0.00 O ATOM 648 CB HIS A 45 -4.033 -12.604 -9.253 1.00 0.00 C ATOM 649 CG HIS A 45 -4.685 -12.553 -7.892 1.00 0.00 C ATOM 650 ND1 HIS A 45 -4.204 -12.884 -6.659 1.00 0.00 N flip ATOM 651 CD2 HIS A 45 -5.987 -12.123 -7.700 1.00 0.00 C flip ATOM 652 CE1 HIS A 45 -5.159 -12.666 -5.763 1.00 0.00 C flip ATOM 653 NE2 HIS A 45 -6.265 -12.195 -6.407 1.00 0.00 N flip ATOM 0 H HIS A 45 -2.913 -14.860 -11.242 1.00 0.00 H new ATOM 0 HA HIS A 45 -5.005 -14.472 -9.418 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.955 -12.501 -9.132 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.371 -11.749 -9.839 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.269 -13.239 -6.459 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.661 -11.786 -8.473 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -5.074 -12.834 -4.700 1.00 0.00 H new ATOM 661 N SER A 46 -5.050 -14.652 -12.202 1.00 0.00 N ATOM 662 CA SER A 46 -5.680 -14.543 -13.507 1.00 0.00 C ATOM 663 C SER A 46 -5.261 -13.236 -14.183 1.00 0.00 C ATOM 664 O SER A 46 -6.100 -12.383 -14.468 1.00 0.00 O ATOM 665 CB SER A 46 -7.203 -14.615 -13.391 1.00 0.00 C ATOM 666 OG SER A 46 -7.701 -15.915 -13.697 1.00 0.00 O ATOM 0 H SER A 46 -4.648 -15.567 -11.997 1.00 0.00 H new ATOM 0 HA SER A 46 -5.349 -15.383 -14.117 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.503 -14.341 -12.380 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.653 -13.886 -14.065 1.00 0.00 H new ATOM 0 HG SER A 46 -8.677 -15.920 -13.610 1.00 0.00 H new ATOM 672 N GLY A 47 -3.962 -13.121 -14.422 1.00 0.00 N ATOM 673 CA GLY A 47 -3.421 -11.933 -15.060 1.00 0.00 C ATOM 674 C GLY A 47 -4.139 -10.672 -14.569 1.00 0.00 C ATOM 675 O GLY A 47 -4.867 -10.035 -15.327 1.00 0.00 O ATOM 0 H GLY A 47 -3.269 -13.831 -14.185 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.355 -11.855 -14.847 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.525 -12.017 -16.142 1.00 0.00 H new ATOM 679 N GLU A 48 -3.907 -10.353 -13.305 1.00 0.00 N ATOM 680 CA GLU A 48 -4.521 -9.181 -12.705 1.00 0.00 C ATOM 681 C GLU A 48 -3.448 -8.168 -12.300 1.00 0.00 C ATOM 682 O GLU A 48 -2.358 -8.547 -11.874 1.00 0.00 O ATOM 683 CB GLU A 48 -5.387 -9.569 -11.505 1.00 0.00 C ATOM 684 CG GLU A 48 -6.215 -8.379 -11.019 1.00 0.00 C ATOM 685 CD GLU A 48 -7.540 -8.284 -11.780 1.00 0.00 C ATOM 686 OE1 GLU A 48 -7.475 -8.240 -13.028 1.00 0.00 O ATOM 687 OE2 GLU A 48 -8.586 -8.257 -11.097 1.00 0.00 O ATOM 0 H GLU A 48 -3.302 -10.885 -12.679 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.171 -8.717 -13.446 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.050 -10.389 -11.780 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.752 -9.930 -10.696 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.411 -8.480 -9.952 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.648 -7.458 -11.153 1.00 0.00 H new ATOM 694 N ILE A 49 -3.794 -6.897 -12.449 1.00 0.00 N ATOM 695 CA ILE A 49 -2.875 -5.826 -12.105 1.00 0.00 C ATOM 696 C ILE A 49 -3.228 -5.282 -10.719 1.00 0.00 C ATOM 697 O ILE A 49 -4.403 -5.144 -10.383 1.00 0.00 O ATOM 698 CB ILE A 49 -2.863 -4.758 -13.200 1.00 0.00 C ATOM 699 CG1 ILE A 49 -4.286 -4.396 -13.630 1.00 0.00 C ATOM 700 CG2 ILE A 49 -2.000 -5.197 -14.386 1.00 0.00 C ATOM 701 CD1 ILE A 49 -4.301 -3.099 -14.442 1.00 0.00 C ATOM 0 H ILE A 49 -4.698 -6.586 -12.803 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.854 -6.204 -12.049 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.411 -3.855 -12.790 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.707 -5.206 -14.225 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.919 -4.285 -12.749 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.009 -4.420 -15.150 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.977 -5.363 -14.049 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.399 -6.121 -14.804 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.324 -2.865 -14.735 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.902 -2.286 -13.836 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.687 -3.221 -15.334 1.00 0.00 H new ATOM 713 N GLY A 50 -2.189 -4.986 -9.953 1.00 0.00 N ATOM 714 CA GLY A 50 -2.374 -4.461 -8.610 1.00 0.00 C ATOM 715 C GLY A 50 -1.228 -3.523 -8.225 1.00 0.00 C ATOM 716 O GLY A 50 -0.700 -2.803 -9.070 1.00 0.00 O ATOM 0 H GLY A 50 -1.216 -5.100 -10.236 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.322 -3.926 -8.552 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.429 -5.285 -7.898 1.00 0.00 H new ATOM 720 N ALA A 51 -0.877 -3.564 -6.948 1.00 0.00 N ATOM 721 CA ALA A 51 0.196 -2.726 -6.441 1.00 0.00 C ATOM 722 C ALA A 51 1.084 -3.553 -5.508 1.00 0.00 C ATOM 723 O ALA A 51 0.680 -4.618 -5.044 1.00 0.00 O ATOM 724 CB ALA A 51 -0.396 -1.500 -5.746 1.00 0.00 C ATOM 0 H ALA A 51 -1.316 -4.164 -6.250 1.00 0.00 H new ATOM 0 HA ALA A 51 0.820 -2.366 -7.259 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.410 -0.872 -5.366 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.994 -0.931 -6.458 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.027 -1.821 -4.917 1.00 0.00 H new ATOM 730 N TYR A 52 2.276 -3.031 -5.260 1.00 0.00 N ATOM 731 CA TYR A 52 3.224 -3.706 -4.390 1.00 0.00 C ATOM 732 C TYR A 52 4.374 -2.775 -4.004 1.00 0.00 C ATOM 733 O TYR A 52 4.813 -1.956 -4.810 1.00 0.00 O ATOM 734 CB TYR A 52 3.783 -4.876 -5.205 1.00 0.00 C ATOM 735 CG TYR A 52 4.831 -4.468 -6.240 1.00 0.00 C ATOM 736 CD1 TYR A 52 4.435 -4.015 -7.483 1.00 0.00 C ATOM 737 CD2 TYR A 52 6.174 -4.554 -5.933 1.00 0.00 C ATOM 738 CE1 TYR A 52 5.423 -3.632 -8.458 1.00 0.00 C ATOM 739 CE2 TYR A 52 7.161 -4.170 -6.908 1.00 0.00 C ATOM 740 CZ TYR A 52 6.737 -3.729 -8.122 1.00 0.00 C ATOM 741 OH TYR A 52 7.670 -3.366 -9.044 1.00 0.00 O ATOM 0 H TYR A 52 2.607 -2.147 -5.647 1.00 0.00 H new ATOM 0 HA TYR A 52 2.737 -4.030 -3.470 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.225 -5.602 -4.523 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.960 -5.377 -5.715 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.384 -3.948 -7.724 1.00 0.00 H new ATOM 0 HD2 TYR A 52 6.484 -4.909 -4.961 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.127 -3.276 -9.434 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.215 -4.231 -6.680 1.00 0.00 H new ATOM 0 HH TYR A 52 8.567 -3.486 -8.667 1.00 0.00 H new ATOM 751 N ILE A 53 4.830 -2.930 -2.769 1.00 0.00 N ATOM 752 CA ILE A 53 5.920 -2.113 -2.265 1.00 0.00 C ATOM 753 C ILE A 53 7.129 -2.255 -3.194 1.00 0.00 C ATOM 754 O ILE A 53 7.559 -3.367 -3.492 1.00 0.00 O ATOM 755 CB ILE A 53 6.222 -2.462 -0.806 1.00 0.00 C ATOM 756 CG1 ILE A 53 5.038 -2.108 0.097 1.00 0.00 C ATOM 757 CG2 ILE A 53 7.518 -1.796 -0.340 1.00 0.00 C ATOM 758 CD1 ILE A 53 5.206 -2.726 1.486 1.00 0.00 C ATOM 0 H ILE A 53 4.464 -3.610 -2.103 1.00 0.00 H new ATOM 0 HA ILE A 53 5.638 -1.060 -2.265 1.00 0.00 H new ATOM 0 HB ILE A 53 6.371 -3.539 -0.735 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.954 -1.025 0.184 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.112 -2.465 -0.354 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.709 -2.060 0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.347 -2.139 -0.960 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.423 -0.714 -0.428 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.352 -2.460 2.108 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.266 -3.811 1.397 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.120 -2.349 1.944 1.00 0.00 H new ATOM 770 N ALA A 54 7.641 -1.111 -3.624 1.00 0.00 N ATOM 771 CA ALA A 54 8.791 -1.093 -4.512 1.00 0.00 C ATOM 772 C ALA A 54 10.017 -0.594 -3.742 1.00 0.00 C ATOM 773 O ALA A 54 11.066 -1.233 -3.758 1.00 0.00 O ATOM 774 CB ALA A 54 8.479 -0.228 -5.735 1.00 0.00 C ATOM 0 H ALA A 54 7.281 -0.190 -3.374 1.00 0.00 H new ATOM 0 HA ALA A 54 9.014 -2.098 -4.872 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.342 -0.215 -6.401 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.619 -0.641 -6.263 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.253 0.789 -5.413 1.00 0.00 H new ATOM 780 N LYS A 55 9.840 0.544 -3.088 1.00 0.00 N ATOM 781 CA LYS A 55 10.919 1.137 -2.314 1.00 0.00 C ATOM 782 C LYS A 55 10.440 1.376 -0.880 1.00 0.00 C ATOM 783 O LYS A 55 9.293 1.763 -0.662 1.00 0.00 O ATOM 784 CB LYS A 55 11.445 2.396 -3.006 1.00 0.00 C ATOM 785 CG LYS A 55 12.872 2.186 -3.516 1.00 0.00 C ATOM 786 CD LYS A 55 13.894 2.785 -2.547 1.00 0.00 C ATOM 787 CE LYS A 55 14.883 3.689 -3.285 1.00 0.00 C ATOM 788 NZ LYS A 55 16.260 3.160 -3.163 1.00 0.00 N ATOM 0 H LYS A 55 8.967 1.071 -3.077 1.00 0.00 H new ATOM 0 HA LYS A 55 11.768 0.455 -2.257 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.792 2.657 -3.839 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.424 3.234 -2.309 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.064 1.120 -3.640 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.983 2.647 -4.498 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.378 3.357 -1.776 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.434 1.984 -2.042 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.606 3.759 -4.337 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.837 4.698 -2.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 16.918 3.786 -3.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 16.527 3.116 -2.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 16.303 2.206 -3.575 1.00 0.00 H new ATOM 802 N ILE A 56 11.343 1.137 0.058 1.00 0.00 N ATOM 803 CA ILE A 56 11.028 1.322 1.465 1.00 0.00 C ATOM 804 C ILE A 56 12.163 2.093 2.141 1.00 0.00 C ATOM 805 O ILE A 56 13.024 1.498 2.788 1.00 0.00 O ATOM 806 CB ILE A 56 10.720 -0.024 2.126 1.00 0.00 C ATOM 807 CG1 ILE A 56 9.484 -0.673 1.499 1.00 0.00 C ATOM 808 CG2 ILE A 56 10.580 0.130 3.642 1.00 0.00 C ATOM 809 CD1 ILE A 56 8.809 -1.630 2.483 1.00 0.00 C ATOM 0 H ILE A 56 12.293 0.817 -0.128 1.00 0.00 H new ATOM 0 HA ILE A 56 10.124 1.921 1.577 1.00 0.00 H new ATOM 0 HB ILE A 56 11.561 -0.694 1.946 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.778 0.100 1.195 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.771 -1.215 0.598 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.361 -0.840 4.088 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.511 0.518 4.056 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.768 0.822 3.864 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.934 -2.078 2.013 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.510 -2.415 2.766 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.502 -1.080 3.373 1.00 0.00 H new ATOM 821 N LEU A 57 12.129 3.406 1.968 1.00 0.00 N ATOM 822 CA LEU A 57 13.144 4.265 2.552 1.00 0.00 C ATOM 823 C LEU A 57 13.277 3.947 4.044 1.00 0.00 C ATOM 824 O LEU A 57 12.336 3.454 4.664 1.00 0.00 O ATOM 825 CB LEU A 57 12.834 5.735 2.262 1.00 0.00 C ATOM 826 CG LEU A 57 13.483 6.322 1.008 1.00 0.00 C ATOM 827 CD1 LEU A 57 12.688 5.950 -0.246 1.00 0.00 C ATOM 828 CD2 LEU A 57 13.667 7.835 1.141 1.00 0.00 C ATOM 0 H LEU A 57 11.413 3.896 1.431 1.00 0.00 H new ATOM 0 HA LEU A 57 14.115 4.072 2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.753 5.847 2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 57 13.148 6.328 3.121 1.00 0.00 H new ATOM 0 HG LEU A 57 14.476 5.885 0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 57 13.171 6.380 -1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.653 4.865 -0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.673 6.340 -0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 57 14.130 8.226 0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.696 8.308 1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 57 14.306 8.050 1.997 1.00 0.00 H new ATOM 840 N PRO A 58 14.485 4.251 4.590 1.00 0.00 N ATOM 841 CA PRO A 58 14.754 4.002 5.996 1.00 0.00 C ATOM 842 C PRO A 58 14.055 5.039 6.879 1.00 0.00 C ATOM 843 O PRO A 58 13.933 6.202 6.498 1.00 0.00 O ATOM 844 CB PRO A 58 16.268 4.042 6.121 1.00 0.00 C ATOM 845 CG PRO A 58 16.770 4.765 4.881 1.00 0.00 C ATOM 846 CD PRO A 58 15.622 4.835 3.886 1.00 0.00 C ATOM 0 HA PRO A 58 14.365 3.042 6.335 1.00 0.00 H new ATOM 0 HB2 PRO A 58 16.571 4.565 7.028 1.00 0.00 H new ATOM 0 HB3 PRO A 58 16.682 3.035 6.180 1.00 0.00 H new ATOM 0 HG2 PRO A 58 17.115 5.767 5.137 1.00 0.00 H new ATOM 0 HG3 PRO A 58 17.619 4.236 4.448 1.00 0.00 H new ATOM 0 HD2 PRO A 58 15.418 5.864 3.589 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.852 4.280 2.976 1.00 0.00 H new ATOM 854 N GLY A 59 13.615 4.580 8.041 1.00 0.00 N ATOM 855 CA GLY A 59 12.932 5.452 8.981 1.00 0.00 C ATOM 856 C GLY A 59 11.423 5.453 8.730 1.00 0.00 C ATOM 857 O GLY A 59 10.634 5.528 9.671 1.00 0.00 O ATOM 0 H GLY A 59 13.718 3.614 8.353 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.135 5.124 10.000 1.00 0.00 H new ATOM 0 HA3 GLY A 59 13.320 6.466 8.890 1.00 0.00 H new ATOM 861 N GLY A 60 11.067 5.370 7.458 1.00 0.00 N ATOM 862 CA GLY A 60 9.665 5.360 7.071 1.00 0.00 C ATOM 863 C GLY A 60 8.826 4.562 8.071 1.00 0.00 C ATOM 864 O GLY A 60 9.287 3.557 8.610 1.00 0.00 O ATOM 0 H GLY A 60 11.724 5.309 6.680 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.293 6.383 7.013 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.562 4.926 6.076 1.00 0.00 H new ATOM 868 N SER A 61 7.611 5.042 8.290 1.00 0.00 N ATOM 869 CA SER A 61 6.704 4.385 9.216 1.00 0.00 C ATOM 870 C SER A 61 6.475 2.935 8.787 1.00 0.00 C ATOM 871 O SER A 61 6.143 2.084 9.609 1.00 0.00 O ATOM 872 CB SER A 61 5.370 5.130 9.302 1.00 0.00 C ATOM 873 OG SER A 61 5.508 6.402 9.930 1.00 0.00 O ATOM 0 H SER A 61 7.233 5.877 7.843 1.00 0.00 H new ATOM 0 HA SER A 61 7.160 4.396 10.206 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.964 5.263 8.299 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.653 4.527 9.859 1.00 0.00 H new ATOM 0 HG SER A 61 5.088 6.377 10.815 1.00 0.00 H new ATOM 879 N ALA A 62 6.662 2.697 7.496 1.00 0.00 N ATOM 880 CA ALA A 62 6.480 1.365 6.947 1.00 0.00 C ATOM 881 C ALA A 62 7.608 0.457 7.440 1.00 0.00 C ATOM 882 O ALA A 62 7.351 -0.591 8.031 1.00 0.00 O ATOM 883 CB ALA A 62 6.422 1.446 5.420 1.00 0.00 C ATOM 0 H ALA A 62 6.938 3.405 6.815 1.00 0.00 H new ATOM 0 HA ALA A 62 5.538 0.935 7.287 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.285 0.446 5.008 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.587 2.079 5.121 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.352 1.870 5.043 1.00 0.00 H new ATOM 889 N GLU A 63 8.832 0.890 7.178 1.00 0.00 N ATOM 890 CA GLU A 63 9.999 0.130 7.588 1.00 0.00 C ATOM 891 C GLU A 63 10.090 0.078 9.115 1.00 0.00 C ATOM 892 O GLU A 63 10.605 -0.888 9.677 1.00 0.00 O ATOM 893 CB GLU A 63 11.277 0.715 6.982 1.00 0.00 C ATOM 894 CG GLU A 63 12.389 -0.334 6.928 1.00 0.00 C ATOM 895 CD GLU A 63 13.691 0.273 6.400 1.00 0.00 C ATOM 896 OE1 GLU A 63 13.742 0.529 5.178 1.00 0.00 O ATOM 897 OE2 GLU A 63 14.604 0.468 7.231 1.00 0.00 O ATOM 0 H GLU A 63 9.041 1.759 6.686 1.00 0.00 H new ATOM 0 HA GLU A 63 9.893 -0.889 7.215 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.071 1.084 5.977 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.606 1.569 7.574 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.553 -0.746 7.924 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.083 -1.161 6.287 1.00 0.00 H new ATOM 904 N GLN A 64 9.584 1.130 9.741 1.00 0.00 N ATOM 905 CA GLN A 64 9.601 1.217 11.192 1.00 0.00 C ATOM 906 C GLN A 64 9.050 -0.071 11.808 1.00 0.00 C ATOM 907 O GLN A 64 9.740 -0.742 12.573 1.00 0.00 O ATOM 908 CB GLN A 64 8.817 2.437 11.677 1.00 0.00 C ATOM 909 CG GLN A 64 9.758 3.511 12.225 1.00 0.00 C ATOM 910 CD GLN A 64 9.439 3.825 13.689 1.00 0.00 C ATOM 911 OE1 GLN A 64 8.301 3.788 14.124 1.00 0.00 O ATOM 912 NE2 GLN A 64 10.507 4.133 14.420 1.00 0.00 N ATOM 0 H GLN A 64 9.160 1.929 9.271 1.00 0.00 H new ATOM 0 HA GLN A 64 10.634 1.338 11.517 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.231 2.847 10.855 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.112 2.136 12.452 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.791 3.173 12.139 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.668 4.418 11.627 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.432 4.145 13.991 1.00 0.00 H new ATOM 0 HE22 GLN A 64 10.400 4.357 15.409 1.00 0.00 H new ATOM 921 N THR A 65 7.812 -0.376 11.450 1.00 0.00 N ATOM 922 CA THR A 65 7.159 -1.571 11.958 1.00 0.00 C ATOM 923 C THR A 65 8.085 -2.782 11.824 1.00 0.00 C ATOM 924 O THR A 65 8.151 -3.619 12.723 1.00 0.00 O ATOM 925 CB THR A 65 5.832 -1.737 11.216 1.00 0.00 C ATOM 926 OG1 THR A 65 6.216 -1.935 9.858 1.00 0.00 O ATOM 927 CG2 THR A 65 5.012 -0.446 11.187 1.00 0.00 C ATOM 0 H THR A 65 7.243 0.183 10.814 1.00 0.00 H new ATOM 0 HA THR A 65 6.943 -1.481 13.023 1.00 0.00 H new ATOM 0 HB THR A 65 5.248 -2.527 11.689 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.540 -1.089 9.483 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.080 -0.619 10.649 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.789 -0.134 12.207 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.582 0.336 10.685 1.00 0.00 H new ATOM 935 N GLY A 66 8.779 -2.835 10.697 1.00 0.00 N ATOM 936 CA GLY A 66 9.697 -3.929 10.434 1.00 0.00 C ATOM 937 C GLY A 66 8.942 -5.193 10.017 1.00 0.00 C ATOM 938 O GLY A 66 9.393 -6.306 10.283 1.00 0.00 O ATOM 0 H GLY A 66 8.724 -2.137 9.955 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.394 -3.642 9.647 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.290 -4.133 11.326 1.00 0.00 H new ATOM 942 N LYS A 67 7.806 -4.977 9.371 1.00 0.00 N ATOM 943 CA LYS A 67 6.983 -6.085 8.914 1.00 0.00 C ATOM 944 C LYS A 67 6.886 -6.047 7.387 1.00 0.00 C ATOM 945 O LYS A 67 6.965 -7.085 6.731 1.00 0.00 O ATOM 946 CB LYS A 67 5.625 -6.069 9.618 1.00 0.00 C ATOM 947 CG LYS A 67 5.739 -6.616 11.042 1.00 0.00 C ATOM 948 CD LYS A 67 4.866 -7.859 11.223 1.00 0.00 C ATOM 949 CE LYS A 67 4.117 -7.814 12.557 1.00 0.00 C ATOM 950 NZ LYS A 67 2.803 -8.484 12.436 1.00 0.00 N ATOM 0 H LYS A 67 7.436 -4.052 9.153 1.00 0.00 H new ATOM 0 HA LYS A 67 7.443 -7.037 9.180 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.238 -5.050 9.646 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.911 -6.666 9.051 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.778 -6.863 11.259 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.438 -5.849 11.755 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.151 -7.928 10.403 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.487 -8.753 11.181 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.710 -8.301 13.331 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.977 -6.779 12.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.444 -8.717 13.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.132 -7.849 11.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.908 -9.357 11.881 1.00 0.00 H new ATOM 964 N LEU A 68 6.716 -4.841 6.867 1.00 0.00 N ATOM 965 CA LEU A 68 6.607 -4.654 5.431 1.00 0.00 C ATOM 966 C LEU A 68 7.954 -4.964 4.776 1.00 0.00 C ATOM 967 O LEU A 68 8.995 -4.900 5.430 1.00 0.00 O ATOM 968 CB LEU A 68 6.075 -3.255 5.110 1.00 0.00 C ATOM 969 CG LEU A 68 4.582 -3.032 5.360 1.00 0.00 C ATOM 970 CD1 LEU A 68 3.735 -3.823 4.360 1.00 0.00 C ATOM 971 CD2 LEU A 68 4.213 -3.359 6.808 1.00 0.00 C ATOM 0 H LEU A 68 6.651 -3.983 7.415 1.00 0.00 H new ATOM 0 HA LEU A 68 5.880 -5.350 5.012 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.634 -2.530 5.702 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.284 -3.040 4.062 1.00 0.00 H new ATOM 0 HG LEU A 68 4.364 -1.976 5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.678 -3.647 4.559 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.972 -3.499 3.346 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.951 -4.887 4.461 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.146 -3.192 6.958 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.450 -4.402 7.017 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.779 -2.716 7.482 1.00 0.00 H new ATOM 983 N MET A 69 7.892 -5.293 3.494 1.00 0.00 N ATOM 984 CA MET A 69 9.096 -5.613 2.745 1.00 0.00 C ATOM 985 C MET A 69 8.848 -5.502 1.239 1.00 0.00 C ATOM 986 O MET A 69 7.769 -5.840 0.756 1.00 0.00 O ATOM 987 CB MET A 69 9.546 -7.034 3.085 1.00 0.00 C ATOM 988 CG MET A 69 10.106 -7.107 4.507 1.00 0.00 C ATOM 989 SD MET A 69 11.134 -8.555 4.686 1.00 0.00 S ATOM 990 CE MET A 69 10.031 -9.605 5.617 1.00 0.00 C ATOM 0 H MET A 69 7.028 -5.345 2.955 1.00 0.00 H new ATOM 0 HA MET A 69 9.874 -4.901 3.021 1.00 0.00 H new ATOM 0 HB2 MET A 69 8.704 -7.719 2.986 1.00 0.00 H new ATOM 0 HB3 MET A 69 10.306 -7.358 2.374 1.00 0.00 H new ATOM 0 HG2 MET A 69 10.686 -6.210 4.724 1.00 0.00 H new ATOM 0 HG3 MET A 69 9.288 -7.140 5.227 1.00 0.00 H new ATOM 0 HE1 MET A 69 10.519 -10.559 5.817 1.00 0.00 H new ATOM 0 HE2 MET A 69 9.779 -9.122 6.561 1.00 0.00 H new ATOM 0 HE3 MET A 69 9.121 -9.777 5.043 1.00 0.00 H new ATOM 1000 N GLU A 70 9.868 -5.027 0.538 1.00 0.00 N ATOM 1001 CA GLU A 70 9.775 -4.867 -0.903 1.00 0.00 C ATOM 1002 C GLU A 70 9.280 -6.162 -1.550 1.00 0.00 C ATOM 1003 O GLU A 70 9.528 -7.252 -1.035 1.00 0.00 O ATOM 1004 CB GLU A 70 11.119 -4.437 -1.495 1.00 0.00 C ATOM 1005 CG GLU A 70 11.630 -3.160 -0.825 1.00 0.00 C ATOM 1006 CD GLU A 70 12.693 -3.480 0.228 1.00 0.00 C ATOM 1007 OE1 GLU A 70 13.824 -3.809 -0.189 1.00 0.00 O ATOM 1008 OE2 GLU A 70 12.351 -3.388 1.427 1.00 0.00 O ATOM 0 H GLU A 70 10.762 -4.748 0.941 1.00 0.00 H new ATOM 0 HA GLU A 70 9.053 -4.079 -1.116 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.849 -5.236 -1.367 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.012 -4.272 -2.567 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.049 -2.493 -1.578 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.798 -2.632 -0.358 1.00 0.00 H new ATOM 1015 N GLY A 71 8.591 -6.001 -2.670 1.00 0.00 N ATOM 1016 CA GLY A 71 8.060 -7.144 -3.392 1.00 0.00 C ATOM 1017 C GLY A 71 6.692 -7.553 -2.842 1.00 0.00 C ATOM 1018 O GLY A 71 6.061 -8.473 -3.359 1.00 0.00 O ATOM 0 H GLY A 71 8.388 -5.096 -3.095 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.972 -6.901 -4.451 1.00 0.00 H new ATOM 0 HA3 GLY A 71 8.753 -7.982 -3.314 1.00 0.00 H new ATOM 1022 N MET A 72 6.275 -6.850 -1.800 1.00 0.00 N ATOM 1023 CA MET A 72 4.994 -7.129 -1.172 1.00 0.00 C ATOM 1024 C MET A 72 3.856 -6.426 -1.916 1.00 0.00 C ATOM 1025 O MET A 72 3.853 -5.203 -2.042 1.00 0.00 O ATOM 1026 CB MET A 72 5.023 -6.655 0.282 1.00 0.00 C ATOM 1027 CG MET A 72 5.687 -7.697 1.184 1.00 0.00 C ATOM 1028 SD MET A 72 4.443 -8.627 2.063 1.00 0.00 S ATOM 1029 CE MET A 72 5.271 -8.853 3.628 1.00 0.00 C ATOM 0 H MET A 72 6.801 -6.087 -1.374 1.00 0.00 H new ATOM 0 HA MET A 72 4.819 -8.204 -1.208 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.565 -5.712 0.350 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.007 -6.465 0.627 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.300 -8.370 0.585 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.353 -7.205 1.893 1.00 0.00 H new ATOM 0 HE1 MET A 72 4.569 -9.260 4.356 1.00 0.00 H new ATOM 0 HE2 MET A 72 6.104 -9.544 3.502 1.00 0.00 H new ATOM 0 HE3 MET A 72 5.646 -7.893 3.983 1.00 0.00 H new ATOM 1039 N GLN A 73 2.916 -7.231 -2.389 1.00 0.00 N ATOM 1040 CA GLN A 73 1.774 -6.702 -3.117 1.00 0.00 C ATOM 1041 C GLN A 73 0.772 -6.073 -2.147 1.00 0.00 C ATOM 1042 O GLN A 73 0.339 -6.715 -1.192 1.00 0.00 O ATOM 1043 CB GLN A 73 1.109 -7.792 -3.960 1.00 0.00 C ATOM 1044 CG GLN A 73 -0.112 -7.243 -4.701 1.00 0.00 C ATOM 1045 CD GLN A 73 -1.119 -8.355 -4.998 1.00 0.00 C ATOM 1046 OE1 GLN A 73 -0.819 -9.536 -4.922 1.00 0.00 O ATOM 1047 NE2 GLN A 73 -2.327 -7.915 -5.339 1.00 0.00 N ATOM 0 H GLN A 73 2.921 -8.245 -2.283 1.00 0.00 H new ATOM 0 HA GLN A 73 2.128 -5.927 -3.797 1.00 0.00 H new ATOM 0 HB2 GLN A 73 1.826 -8.190 -4.678 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.808 -8.620 -3.318 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.588 -6.468 -4.101 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.204 -6.775 -5.633 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.511 -6.913 -5.383 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -3.069 -8.580 -5.556 1.00 0.00 H new ATOM 1056 N VAL A 74 0.433 -4.822 -2.425 1.00 0.00 N ATOM 1057 CA VAL A 74 -0.509 -4.098 -1.590 1.00 0.00 C ATOM 1058 C VAL A 74 -1.934 -4.386 -2.068 1.00 0.00 C ATOM 1059 O VAL A 74 -2.337 -3.931 -3.138 1.00 0.00 O ATOM 1060 CB VAL A 74 -0.170 -2.607 -1.588 1.00 0.00 C ATOM 1061 CG1 VAL A 74 -1.054 -1.844 -0.601 1.00 0.00 C ATOM 1062 CG2 VAL A 74 1.312 -2.383 -1.284 1.00 0.00 C ATOM 0 H VAL A 74 0.795 -4.292 -3.218 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.438 -4.435 -0.556 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.370 -2.217 -2.586 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.792 -0.786 -0.620 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.100 -1.963 -0.882 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.901 -2.238 0.404 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.527 -1.314 -1.289 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.549 -2.797 -0.304 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.918 -2.878 -2.043 1.00 0.00 H new ATOM 1072 N LEU A 75 -2.658 -5.141 -1.253 1.00 0.00 N ATOM 1073 CA LEU A 75 -4.028 -5.494 -1.579 1.00 0.00 C ATOM 1074 C LEU A 75 -4.931 -4.281 -1.350 1.00 0.00 C ATOM 1075 O LEU A 75 -5.594 -3.812 -2.274 1.00 0.00 O ATOM 1076 CB LEU A 75 -4.460 -6.739 -0.802 1.00 0.00 C ATOM 1077 CG LEU A 75 -3.466 -7.903 -0.794 1.00 0.00 C ATOM 1078 CD1 LEU A 75 -3.666 -8.785 0.440 1.00 0.00 C ATOM 1079 CD2 LEU A 75 -3.553 -8.707 -2.094 1.00 0.00 C ATOM 0 H LEU A 75 -2.320 -5.518 -0.367 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.113 -5.760 -2.633 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.657 -6.449 0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.402 -7.095 -1.219 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.458 -7.492 -0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.948 -9.605 0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.515 -8.190 1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.678 -9.190 0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.837 -9.528 -2.063 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.560 -9.108 -2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.324 -8.058 -2.939 1.00 0.00 H new ATOM 1091 N GLU A 76 -4.932 -3.809 -0.111 1.00 0.00 N ATOM 1092 CA GLU A 76 -5.743 -2.660 0.252 1.00 0.00 C ATOM 1093 C GLU A 76 -4.901 -1.635 1.012 1.00 0.00 C ATOM 1094 O GLU A 76 -3.930 -1.993 1.676 1.00 0.00 O ATOM 1095 CB GLU A 76 -6.962 -3.087 1.072 1.00 0.00 C ATOM 1096 CG GLU A 76 -8.081 -3.601 0.165 1.00 0.00 C ATOM 1097 CD GLU A 76 -9.290 -4.053 0.989 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -9.056 -4.707 2.028 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -10.419 -3.733 0.560 1.00 0.00 O ATOM 0 H GLU A 76 -4.383 -4.202 0.654 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.108 -2.193 -0.663 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.675 -3.866 1.778 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.324 -2.243 1.659 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.382 -2.816 -0.528 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.714 -4.433 -0.436 1.00 0.00 H new ATOM 1106 N TRP A 77 -5.304 -0.378 0.891 1.00 0.00 N ATOM 1107 CA TRP A 77 -4.598 0.702 1.559 1.00 0.00 C ATOM 1108 C TRP A 77 -5.642 1.665 2.131 1.00 0.00 C ATOM 1109 O TRP A 77 -6.293 2.394 1.385 1.00 0.00 O ATOM 1110 CB TRP A 77 -3.613 1.384 0.608 1.00 0.00 C ATOM 1111 CG TRP A 77 -3.081 2.724 1.120 1.00 0.00 C ATOM 1112 CD1 TRP A 77 -3.628 3.939 0.976 1.00 0.00 C ATOM 1113 CD2 TRP A 77 -1.865 2.936 1.868 1.00 0.00 C ATOM 1114 NE1 TRP A 77 -2.857 4.915 1.574 1.00 0.00 N ATOM 1115 CE2 TRP A 77 -1.751 4.286 2.135 1.00 0.00 C ATOM 1116 CE3 TRP A 77 -0.894 2.019 2.306 1.00 0.00 C ATOM 1117 CZ2 TRP A 77 -0.680 4.838 2.847 1.00 0.00 C ATOM 1118 CZ3 TRP A 77 0.170 2.588 3.017 1.00 0.00 C ATOM 1119 CH2 TRP A 77 0.299 3.944 3.293 1.00 0.00 C ATOM 0 H TRP A 77 -6.111 -0.084 0.340 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.991 0.318 2.379 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -2.771 0.714 0.431 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -4.102 1.542 -0.353 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -4.556 4.130 0.457 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -3.061 5.914 1.600 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -0.963 0.959 2.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -0.613 5.898 3.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 0.945 1.927 3.376 1.00 0.00 H new ATOM 0 HH2 TRP A 77 1.151 4.306 3.849 1.00 0.00 H new ATOM 1130 N ASN A 78 -5.766 1.636 3.450 1.00 0.00 N ATOM 1131 CA ASN A 78 -6.719 2.497 4.130 1.00 0.00 C ATOM 1132 C ASN A 78 -8.134 2.150 3.668 1.00 0.00 C ATOM 1133 O ASN A 78 -9.008 3.015 3.629 1.00 0.00 O ATOM 1134 CB ASN A 78 -6.461 3.969 3.802 1.00 0.00 C ATOM 1135 CG ASN A 78 -5.710 4.662 4.941 1.00 0.00 C ATOM 1136 OD1 ASN A 78 -5.749 4.248 6.088 1.00 0.00 O ATOM 1137 ND2 ASN A 78 -5.024 5.736 4.561 1.00 0.00 N ATOM 0 H ASN A 78 -5.223 1.030 4.065 1.00 0.00 H new ATOM 0 HA ASN A 78 -6.608 2.342 5.203 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -5.882 4.044 2.882 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.409 4.477 3.625 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -4.488 6.267 5.247 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -5.034 6.028 3.584 1.00 0.00 H new ATOM 1144 N GLY A 79 -8.318 0.882 3.329 1.00 0.00 N ATOM 1145 CA GLY A 79 -9.614 0.410 2.872 1.00 0.00 C ATOM 1146 C GLY A 79 -9.666 0.348 1.343 1.00 0.00 C ATOM 1147 O GLY A 79 -10.011 -0.685 0.772 1.00 0.00 O ATOM 0 H GLY A 79 -7.591 0.167 3.362 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.812 -0.578 3.287 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.397 1.073 3.240 1.00 0.00 H new ATOM 1151 N ILE A 80 -9.320 1.468 0.726 1.00 0.00 N ATOM 1152 CA ILE A 80 -9.323 1.554 -0.724 1.00 0.00 C ATOM 1153 C ILE A 80 -8.398 0.479 -1.298 1.00 0.00 C ATOM 1154 O ILE A 80 -7.215 0.431 -0.964 1.00 0.00 O ATOM 1155 CB ILE A 80 -8.971 2.973 -1.177 1.00 0.00 C ATOM 1156 CG1 ILE A 80 -9.884 4.004 -0.511 1.00 0.00 C ATOM 1157 CG2 ILE A 80 -8.997 3.083 -2.703 1.00 0.00 C ATOM 1158 CD1 ILE A 80 -9.223 4.600 0.733 1.00 0.00 C ATOM 0 H ILE A 80 -9.036 2.323 1.204 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.321 1.357 -1.114 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.953 3.192 -0.856 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.118 4.799 -1.219 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.828 3.535 -0.236 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.743 4.101 -2.999 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.272 2.390 -3.130 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -9.994 2.837 -3.069 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.893 5.330 1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.013 3.806 1.449 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.291 5.090 0.451 1.00 0.00 H new ATOM 1170 N PRO A 81 -8.988 -0.381 -2.171 1.00 0.00 N ATOM 1171 CA PRO A 81 -8.231 -1.453 -2.793 1.00 0.00 C ATOM 1172 C PRO A 81 -7.313 -0.910 -3.892 1.00 0.00 C ATOM 1173 O PRO A 81 -7.666 0.043 -4.585 1.00 0.00 O ATOM 1174 CB PRO A 81 -9.277 -2.422 -3.317 1.00 0.00 C ATOM 1175 CG PRO A 81 -10.577 -1.636 -3.383 1.00 0.00 C ATOM 1176 CD PRO A 81 -10.387 -0.354 -2.588 1.00 0.00 C ATOM 0 HA PRO A 81 -7.560 -1.953 -2.095 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.000 -2.802 -4.300 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.375 -3.285 -2.658 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.834 -1.409 -4.418 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.399 -2.222 -2.972 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.602 0.525 -3.196 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -11.056 -0.318 -1.728 1.00 0.00 H new ATOM 1184 N LEU A 82 -6.156 -1.542 -4.016 1.00 0.00 N ATOM 1185 CA LEU A 82 -5.186 -1.135 -5.019 1.00 0.00 C ATOM 1186 C LEU A 82 -5.118 -2.197 -6.119 1.00 0.00 C ATOM 1187 O LEU A 82 -4.084 -2.365 -6.762 1.00 0.00 O ATOM 1188 CB LEU A 82 -3.834 -0.838 -4.367 1.00 0.00 C ATOM 1189 CG LEU A 82 -3.834 0.243 -3.286 1.00 0.00 C ATOM 1190 CD1 LEU A 82 -2.405 0.624 -2.891 1.00 0.00 C ATOM 1191 CD2 LEU A 82 -4.649 1.461 -3.728 1.00 0.00 C ATOM 0 H LEU A 82 -5.868 -2.332 -3.439 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.497 -0.204 -5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.453 -1.761 -3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.133 -0.543 -5.148 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.317 -0.163 -2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.434 1.395 -2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.887 -0.255 -2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.875 1.004 -3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.633 2.215 -2.941 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.217 1.877 -4.638 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.679 1.159 -3.920 1.00 0.00 H new ATOM 1203 N THR A 83 -6.236 -2.885 -6.301 1.00 0.00 N ATOM 1204 CA THR A 83 -6.317 -3.926 -7.312 1.00 0.00 C ATOM 1205 C THR A 83 -7.104 -3.429 -8.526 1.00 0.00 C ATOM 1206 O THR A 83 -8.117 -2.748 -8.378 1.00 0.00 O ATOM 1207 CB THR A 83 -6.925 -5.170 -6.660 1.00 0.00 C ATOM 1208 OG1 THR A 83 -6.295 -5.238 -5.385 1.00 0.00 O ATOM 1209 CG2 THR A 83 -6.497 -6.464 -7.357 1.00 0.00 C ATOM 0 H THR A 83 -7.093 -2.742 -5.766 1.00 0.00 H new ATOM 0 HA THR A 83 -5.329 -4.189 -7.690 1.00 0.00 H new ATOM 0 HB THR A 83 -8.012 -5.092 -6.674 1.00 0.00 H new ATOM 0 HG1 THR A 83 -6.633 -6.016 -4.894 1.00 0.00 H new ATOM 0 HG21 THR A 83 -6.956 -7.316 -6.856 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.818 -6.440 -8.398 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.412 -6.559 -7.314 1.00 0.00 H new ATOM 1217 N SER A 84 -6.607 -3.792 -9.700 1.00 0.00 N ATOM 1218 CA SER A 84 -7.251 -3.392 -10.940 1.00 0.00 C ATOM 1219 C SER A 84 -7.131 -1.877 -11.127 1.00 0.00 C ATOM 1220 O SER A 84 -8.056 -1.234 -11.620 1.00 0.00 O ATOM 1221 CB SER A 84 -8.722 -3.813 -10.958 1.00 0.00 C ATOM 1222 OG SER A 84 -9.328 -3.580 -12.227 1.00 0.00 O ATOM 0 H SER A 84 -5.767 -4.358 -9.818 1.00 0.00 H new ATOM 0 HA SER A 84 -6.747 -3.895 -11.765 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.799 -4.871 -10.708 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.266 -3.263 -10.190 1.00 0.00 H new ATOM 0 HG SER A 84 -9.155 -2.657 -12.508 1.00 0.00 H new ATOM 1228 N LYS A 85 -5.983 -1.353 -10.724 1.00 0.00 N ATOM 1229 CA LYS A 85 -5.730 0.073 -10.841 1.00 0.00 C ATOM 1230 C LYS A 85 -4.412 0.293 -11.587 1.00 0.00 C ATOM 1231 O LYS A 85 -3.838 -0.650 -12.130 1.00 0.00 O ATOM 1232 CB LYS A 85 -5.776 0.740 -9.465 1.00 0.00 C ATOM 1233 CG LYS A 85 -7.026 0.314 -8.691 1.00 0.00 C ATOM 1234 CD LYS A 85 -8.196 1.257 -8.978 1.00 0.00 C ATOM 1235 CE LYS A 85 -9.167 1.301 -7.795 1.00 0.00 C ATOM 1236 NZ LYS A 85 -10.494 0.784 -8.195 1.00 0.00 N ATOM 0 H LYS A 85 -5.218 -1.890 -10.316 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.513 0.552 -11.428 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.884 0.474 -8.898 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.768 1.824 -9.582 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.299 -0.705 -8.966 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.812 0.309 -7.622 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.819 2.259 -9.181 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.723 0.927 -9.873 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.772 0.707 -6.971 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.263 2.325 -7.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.141 0.821 -7.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.876 1.367 -8.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.400 -0.200 -8.518 1.00 0.00 H new ATOM 1250 N THR A 86 -3.972 1.543 -11.589 1.00 0.00 N ATOM 1251 CA THR A 86 -2.733 1.898 -12.260 1.00 0.00 C ATOM 1252 C THR A 86 -1.821 2.681 -11.314 1.00 0.00 C ATOM 1253 O THR A 86 -2.279 3.222 -10.309 1.00 0.00 O ATOM 1254 CB THR A 86 -3.088 2.666 -13.534 1.00 0.00 C ATOM 1255 OG1 THR A 86 -3.471 3.957 -13.068 1.00 0.00 O ATOM 1256 CG2 THR A 86 -4.349 2.125 -14.211 1.00 0.00 C ATOM 0 H THR A 86 -4.451 2.322 -11.137 1.00 0.00 H new ATOM 0 HA THR A 86 -2.169 1.010 -12.545 1.00 0.00 H new ATOM 0 HB THR A 86 -2.252 2.617 -14.231 1.00 0.00 H new ATOM 0 HG1 THR A 86 -3.716 4.521 -13.831 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.557 2.705 -15.110 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.197 1.080 -14.480 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.193 2.204 -13.525 1.00 0.00 H new ATOM 1264 N TYR A 87 -0.545 2.717 -11.668 1.00 0.00 N ATOM 1265 CA TYR A 87 0.437 3.425 -10.863 1.00 0.00 C ATOM 1266 C TYR A 87 -0.112 4.772 -10.389 1.00 0.00 C ATOM 1267 O TYR A 87 -0.080 5.074 -9.197 1.00 0.00 O ATOM 1268 CB TYR A 87 1.636 3.671 -11.780 1.00 0.00 C ATOM 1269 CG TYR A 87 2.835 4.312 -11.079 1.00 0.00 C ATOM 1270 CD1 TYR A 87 2.815 5.657 -10.770 1.00 0.00 C ATOM 1271 CD2 TYR A 87 3.936 3.546 -10.756 1.00 0.00 C ATOM 1272 CE1 TYR A 87 3.943 6.261 -10.109 1.00 0.00 C ATOM 1273 CE2 TYR A 87 5.065 4.151 -10.095 1.00 0.00 C ATOM 1274 CZ TYR A 87 5.013 5.478 -9.804 1.00 0.00 C ATOM 1275 OH TYR A 87 6.078 6.048 -9.180 1.00 0.00 O ATOM 0 H TYR A 87 -0.168 2.267 -12.502 1.00 0.00 H new ATOM 0 HA TYR A 87 0.699 2.844 -9.979 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.948 2.722 -12.216 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.324 4.313 -12.604 1.00 0.00 H new ATOM 0 HD1 TYR A 87 1.953 6.257 -11.024 1.00 0.00 H new ATOM 0 HD2 TYR A 87 3.952 2.494 -10.998 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.940 7.312 -9.861 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.933 3.563 -9.837 1.00 0.00 H new ATOM 0 HH TYR A 87 6.767 5.369 -9.024 1.00 0.00 H new ATOM 1285 N GLU A 88 -0.603 5.544 -11.346 1.00 0.00 N ATOM 1286 CA GLU A 88 -1.158 6.853 -11.042 1.00 0.00 C ATOM 1287 C GLU A 88 -2.280 6.725 -10.009 1.00 0.00 C ATOM 1288 O GLU A 88 -2.120 7.133 -8.860 1.00 0.00 O ATOM 1289 CB GLU A 88 -1.657 7.546 -12.310 1.00 0.00 C ATOM 1290 CG GLU A 88 -0.554 8.401 -12.938 1.00 0.00 C ATOM 1291 CD GLU A 88 -1.092 9.773 -13.351 1.00 0.00 C ATOM 1292 OE1 GLU A 88 -2.171 9.793 -13.982 1.00 0.00 O ATOM 1293 OE2 GLU A 88 -0.412 10.770 -13.027 1.00 0.00 O ATOM 0 H GLU A 88 -0.629 5.289 -12.333 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.367 7.472 -10.618 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.996 6.799 -13.028 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.517 8.172 -12.072 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.263 8.526 -12.228 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.144 7.890 -13.809 1.00 0.00 H new ATOM 1300 N GLU A 89 -3.390 6.157 -10.456 1.00 0.00 N ATOM 1301 CA GLU A 89 -4.539 5.971 -9.586 1.00 0.00 C ATOM 1302 C GLU A 89 -4.082 5.543 -8.189 1.00 0.00 C ATOM 1303 O GLU A 89 -4.273 6.275 -7.219 1.00 0.00 O ATOM 1304 CB GLU A 89 -5.517 4.955 -10.178 1.00 0.00 C ATOM 1305 CG GLU A 89 -6.223 5.527 -11.408 1.00 0.00 C ATOM 1306 CD GLU A 89 -7.697 5.116 -11.435 1.00 0.00 C ATOM 1307 OE1 GLU A 89 -8.454 5.664 -10.606 1.00 0.00 O ATOM 1308 OE2 GLU A 89 -8.033 4.262 -12.284 1.00 0.00 O ATOM 0 H GLU A 89 -3.518 5.819 -11.410 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.064 6.923 -9.501 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.981 4.046 -10.452 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.256 4.676 -9.427 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.145 6.614 -11.404 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.727 5.175 -12.313 1.00 0.00 H new ATOM 1315 N VAL A 90 -3.488 4.361 -8.132 1.00 0.00 N ATOM 1316 CA VAL A 90 -3.003 3.826 -6.871 1.00 0.00 C ATOM 1317 C VAL A 90 -2.356 4.952 -6.061 1.00 0.00 C ATOM 1318 O VAL A 90 -2.812 5.274 -4.966 1.00 0.00 O ATOM 1319 CB VAL A 90 -2.054 2.654 -7.129 1.00 0.00 C ATOM 1320 CG1 VAL A 90 -1.600 2.016 -5.816 1.00 0.00 C ATOM 1321 CG2 VAL A 90 -2.701 1.616 -8.048 1.00 0.00 C ATOM 0 H VAL A 90 -3.331 3.758 -8.939 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.830 3.432 -6.280 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.171 3.044 -7.634 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.926 1.186 -6.029 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.080 2.759 -5.211 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.469 1.648 -5.271 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.005 0.794 -8.215 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.609 1.234 -7.582 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.950 2.080 -9.002 1.00 0.00 H new ATOM 1331 N GLN A 91 -1.302 5.518 -6.631 1.00 0.00 N ATOM 1332 CA GLN A 91 -0.588 6.600 -5.975 1.00 0.00 C ATOM 1333 C GLN A 91 -1.573 7.541 -5.280 1.00 0.00 C ATOM 1334 O GLN A 91 -1.511 7.724 -4.065 1.00 0.00 O ATOM 1335 CB GLN A 91 0.288 7.362 -6.972 1.00 0.00 C ATOM 1336 CG GLN A 91 1.679 7.625 -6.391 1.00 0.00 C ATOM 1337 CD GLN A 91 2.360 8.794 -7.106 1.00 0.00 C ATOM 1338 OE1 GLN A 91 2.437 8.851 -8.322 1.00 0.00 O ATOM 1339 NE2 GLN A 91 2.848 9.719 -6.285 1.00 0.00 N ATOM 0 H GLN A 91 -0.926 5.248 -7.540 1.00 0.00 H new ATOM 0 HA GLN A 91 0.069 6.170 -5.219 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.378 6.789 -7.895 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.187 8.308 -7.230 1.00 0.00 H new ATOM 0 HG2 GLN A 91 1.597 7.843 -5.326 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.292 6.729 -6.486 1.00 0.00 H new ATOM 0 HE21 GLN A 91 2.749 9.609 -5.276 1.00 0.00 H new ATOM 0 HE22 GLN A 91 3.322 10.539 -6.664 1.00 0.00 H new ATOM 1348 N SER A 92 -2.460 8.115 -6.080 1.00 0.00 N ATOM 1349 CA SER A 92 -3.457 9.033 -5.557 1.00 0.00 C ATOM 1350 C SER A 92 -4.082 8.458 -4.284 1.00 0.00 C ATOM 1351 O SER A 92 -4.151 9.136 -3.261 1.00 0.00 O ATOM 1352 CB SER A 92 -4.541 9.321 -6.598 1.00 0.00 C ATOM 1353 OG SER A 92 -5.028 10.656 -6.506 1.00 0.00 O ATOM 0 H SER A 92 -2.509 7.962 -7.087 1.00 0.00 H new ATOM 0 HA SER A 92 -2.962 9.974 -5.318 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.139 9.150 -7.597 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.368 8.623 -6.463 1.00 0.00 H new ATOM 0 HG SER A 92 -5.717 10.801 -7.188 1.00 0.00 H new ATOM 1359 N ILE A 93 -4.521 7.212 -4.390 1.00 0.00 N ATOM 1360 CA ILE A 93 -5.138 6.537 -3.261 1.00 0.00 C ATOM 1361 C ILE A 93 -4.190 6.592 -2.061 1.00 0.00 C ATOM 1362 O ILE A 93 -4.629 6.793 -0.928 1.00 0.00 O ATOM 1363 CB ILE A 93 -5.556 5.117 -3.648 1.00 0.00 C ATOM 1364 CG1 ILE A 93 -6.834 5.132 -4.490 1.00 0.00 C ATOM 1365 CG2 ILE A 93 -5.696 4.229 -2.410 1.00 0.00 C ATOM 1366 CD1 ILE A 93 -7.032 3.798 -5.210 1.00 0.00 C ATOM 0 H ILE A 93 -4.461 6.652 -5.241 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.056 7.046 -2.968 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.768 4.686 -4.265 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.693 5.335 -3.850 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.783 5.939 -5.220 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -5.994 3.225 -2.714 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.741 4.181 -1.887 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.453 4.647 -1.746 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -7.947 3.836 -5.801 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -6.183 3.610 -5.867 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.107 2.996 -4.476 1.00 0.00 H new ATOM 1378 N ILE A 94 -2.910 6.413 -2.348 1.00 0.00 N ATOM 1379 CA ILE A 94 -1.898 6.439 -1.305 1.00 0.00 C ATOM 1380 C ILE A 94 -1.607 7.891 -0.921 1.00 0.00 C ATOM 1381 O ILE A 94 -1.851 8.298 0.214 1.00 0.00 O ATOM 1382 CB ILE A 94 -0.657 5.659 -1.743 1.00 0.00 C ATOM 1383 CG1 ILE A 94 -1.018 4.592 -2.779 1.00 0.00 C ATOM 1384 CG2 ILE A 94 0.070 5.065 -0.536 1.00 0.00 C ATOM 1385 CD1 ILE A 94 -0.053 3.407 -2.704 1.00 0.00 C ATOM 0 H ILE A 94 -2.549 6.249 -3.288 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.261 5.937 -0.408 1.00 0.00 H new ATOM 0 HB ILE A 94 0.032 6.353 -2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.038 4.246 -2.610 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -0.990 5.026 -3.778 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.948 4.516 -0.875 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.380 5.868 0.133 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.599 4.388 -0.005 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.332 2.663 -3.450 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.963 3.752 -2.897 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.102 2.960 -1.711 1.00 0.00 H new ATOM 1397 N SER A 95 -1.089 8.634 -1.889 1.00 0.00 N ATOM 1398 CA SER A 95 -0.763 10.033 -1.666 1.00 0.00 C ATOM 1399 C SER A 95 -1.950 10.751 -1.019 1.00 0.00 C ATOM 1400 O SER A 95 -3.094 10.328 -1.174 1.00 0.00 O ATOM 1401 CB SER A 95 -0.373 10.723 -2.974 1.00 0.00 C ATOM 1402 OG SER A 95 0.824 11.482 -2.842 1.00 0.00 O ATOM 0 H SER A 95 -0.887 8.294 -2.829 1.00 0.00 H new ATOM 0 HA SER A 95 0.093 10.081 -0.993 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.242 9.973 -3.754 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.184 11.378 -3.294 1.00 0.00 H new ATOM 0 HG SER A 95 1.039 11.905 -3.699 1.00 0.00 H new ATOM 1408 N GLN A 96 -1.635 11.824 -0.310 1.00 0.00 N ATOM 1409 CA GLN A 96 -2.661 12.605 0.360 1.00 0.00 C ATOM 1410 C GLN A 96 -3.247 11.817 1.533 1.00 0.00 C ATOM 1411 O GLN A 96 -4.068 10.923 1.337 1.00 0.00 O ATOM 1412 CB GLN A 96 -3.758 13.026 -0.621 1.00 0.00 C ATOM 1413 CG GLN A 96 -4.573 14.194 -0.063 1.00 0.00 C ATOM 1414 CD GLN A 96 -5.897 14.347 -0.815 1.00 0.00 C ATOM 1415 OE1 GLN A 96 -6.327 13.474 -1.552 1.00 0.00 O ATOM 1416 NE2 GLN A 96 -6.517 15.502 -0.590 1.00 0.00 N ATOM 0 H GLN A 96 -0.684 12.171 -0.185 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.201 13.513 0.751 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.310 13.312 -1.572 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.417 12.181 -0.820 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -4.769 14.032 0.997 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.996 15.116 -0.143 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.102 16.190 0.039 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.408 15.700 -1.046 1.00 0.00 H new ATOM 1425 N GLN A 97 -2.801 12.177 2.728 1.00 0.00 N ATOM 1426 CA GLN A 97 -3.271 11.515 3.933 1.00 0.00 C ATOM 1427 C GLN A 97 -2.901 12.337 5.169 1.00 0.00 C ATOM 1428 O GLN A 97 -2.041 13.214 5.101 1.00 0.00 O ATOM 1429 CB GLN A 97 -2.710 10.094 4.031 1.00 0.00 C ATOM 1430 CG GLN A 97 -1.195 10.116 4.245 1.00 0.00 C ATOM 1431 CD GLN A 97 -0.468 10.560 2.975 1.00 0.00 C ATOM 1432 OE1 GLN A 97 -0.456 9.875 1.964 1.00 0.00 O ATOM 1433 NE2 GLN A 97 0.136 11.740 3.080 1.00 0.00 N ATOM 0 H GLN A 97 -2.119 12.919 2.887 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.357 11.440 3.883 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.190 9.566 4.855 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.944 9.543 3.120 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -0.950 10.792 5.064 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.851 9.124 4.537 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.087 12.262 3.955 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.648 12.123 2.286 1.00 0.00 H new ATOM 1442 N SER A 98 -3.569 12.025 6.269 1.00 0.00 N ATOM 1443 CA SER A 98 -3.322 12.724 7.519 1.00 0.00 C ATOM 1444 C SER A 98 -1.971 12.300 8.098 1.00 0.00 C ATOM 1445 O SER A 98 -1.092 13.134 8.311 1.00 0.00 O ATOM 1446 CB SER A 98 -4.440 12.458 8.529 1.00 0.00 C ATOM 1447 OG SER A 98 -4.584 13.529 9.459 1.00 0.00 O ATOM 0 H SER A 98 -4.282 11.297 6.321 1.00 0.00 H new ATOM 0 HA SER A 98 -3.302 13.794 7.314 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.380 12.309 7.998 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.229 11.535 9.069 1.00 0.00 H new ATOM 0 HG SER A 98 -5.308 13.323 10.086 1.00 0.00 H new ATOM 1453 N GLY A 99 -1.847 11.002 8.337 1.00 0.00 N ATOM 1454 CA GLY A 99 -0.619 10.456 8.887 1.00 0.00 C ATOM 1455 C GLY A 99 -0.614 8.928 8.810 1.00 0.00 C ATOM 1456 O GLY A 99 -0.092 8.352 7.857 1.00 0.00 O ATOM 0 H GLY A 99 -2.578 10.313 8.159 1.00 0.00 H new ATOM 0 HA2 GLY A 99 0.236 10.854 8.341 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -0.509 10.772 9.925 1.00 0.00 H new ATOM 1460 N GLU A 100 -1.204 8.314 9.824 1.00 0.00 N ATOM 1461 CA GLU A 100 -1.276 6.864 9.884 1.00 0.00 C ATOM 1462 C GLU A 100 -2.152 6.329 8.750 1.00 0.00 C ATOM 1463 O GLU A 100 -2.836 7.096 8.076 1.00 0.00 O ATOM 1464 CB GLU A 100 -1.794 6.396 11.245 1.00 0.00 C ATOM 1465 CG GLU A 100 -3.259 6.792 11.441 1.00 0.00 C ATOM 1466 CD GLU A 100 -3.382 7.977 12.401 1.00 0.00 C ATOM 1467 OE1 GLU A 100 -2.525 8.065 13.307 1.00 0.00 O ATOM 1468 OE2 GLU A 100 -4.330 8.768 12.208 1.00 0.00 O ATOM 0 H GLU A 100 -1.637 8.795 10.612 1.00 0.00 H new ATOM 0 HA GLU A 100 -0.270 6.464 9.759 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -1.693 5.314 11.324 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -1.187 6.832 12.038 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -3.701 7.051 10.479 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.820 5.943 11.832 1.00 0.00 H new ATOM 1475 N ALA A 101 -2.102 5.016 8.575 1.00 0.00 N ATOM 1476 CA ALA A 101 -2.883 4.370 7.534 1.00 0.00 C ATOM 1477 C ALA A 101 -2.663 2.858 7.603 1.00 0.00 C ATOM 1478 O ALA A 101 -1.634 2.398 8.097 1.00 0.00 O ATOM 1479 CB ALA A 101 -2.500 4.953 6.172 1.00 0.00 C ATOM 0 H ALA A 101 -1.533 4.383 9.137 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.947 4.556 7.681 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.086 4.468 5.391 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.702 6.024 6.165 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.439 4.782 5.988 1.00 0.00 H new ATOM 1485 N GLU A 102 -3.645 2.125 7.099 1.00 0.00 N ATOM 1486 CA GLU A 102 -3.572 0.674 7.098 1.00 0.00 C ATOM 1487 C GLU A 102 -3.170 0.164 5.713 1.00 0.00 C ATOM 1488 O GLU A 102 -3.643 0.675 4.698 1.00 0.00 O ATOM 1489 CB GLU A 102 -4.899 0.058 7.545 1.00 0.00 C ATOM 1490 CG GLU A 102 -4.696 -0.872 8.743 1.00 0.00 C ATOM 1491 CD GLU A 102 -5.613 -0.480 9.903 1.00 0.00 C ATOM 1492 OE1 GLU A 102 -5.513 0.690 10.334 1.00 0.00 O ATOM 1493 OE2 GLU A 102 -6.393 -1.356 10.333 1.00 0.00 O ATOM 0 H GLU A 102 -4.496 2.509 6.688 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.808 0.368 7.813 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.601 0.849 7.809 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.342 -0.498 6.719 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -4.898 -1.901 8.447 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.656 -0.832 9.067 1.00 0.00 H new ATOM 1500 N ILE A 103 -2.301 -0.836 5.714 1.00 0.00 N ATOM 1501 CA ILE A 103 -1.830 -1.419 4.469 1.00 0.00 C ATOM 1502 C ILE A 103 -1.972 -2.941 4.539 1.00 0.00 C ATOM 1503 O ILE A 103 -1.423 -3.580 5.435 1.00 0.00 O ATOM 1504 CB ILE A 103 -0.406 -0.949 4.162 1.00 0.00 C ATOM 1505 CG1 ILE A 103 0.100 -1.554 2.852 1.00 0.00 C ATOM 1506 CG2 ILE A 103 0.534 -1.246 5.332 1.00 0.00 C ATOM 1507 CD1 ILE A 103 1.470 -0.986 2.478 1.00 0.00 C ATOM 0 H ILE A 103 -1.911 -1.257 6.557 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.441 -1.078 3.633 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.424 0.133 4.031 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.166 -2.638 2.950 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.613 -1.349 2.053 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.539 -0.902 5.088 1.00 0.00 H new ATOM 0 HG22 ILE A 103 0.180 -0.728 6.224 1.00 0.00 H new ATOM 0 HG23 ILE A 103 0.554 -2.320 5.520 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.806 -1.433 1.543 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.395 0.095 2.357 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.186 -1.214 3.267 1.00 0.00 H new ATOM 1519 N CYS A 104 -2.714 -3.478 3.582 1.00 0.00 N ATOM 1520 CA CYS A 104 -2.936 -4.912 3.522 1.00 0.00 C ATOM 1521 C CYS A 104 -2.071 -5.487 2.399 1.00 0.00 C ATOM 1522 O CYS A 104 -2.331 -5.242 1.222 1.00 0.00 O ATOM 1523 CB CYS A 104 -4.417 -5.248 3.331 1.00 0.00 C ATOM 1524 SG CYS A 104 -5.453 -4.074 4.277 1.00 0.00 S ATOM 0 H CYS A 104 -3.169 -2.945 2.841 1.00 0.00 H new ATOM 0 HA CYS A 104 -2.647 -5.366 4.470 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -4.675 -5.202 2.273 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -4.613 -6.268 3.663 1.00 0.00 H new ATOM 0 HG CYS A 104 -6.708 -4.367 4.106 1.00 0.00 H new ATOM 1530 N VAL A 105 -1.058 -6.241 2.803 1.00 0.00 N ATOM 1531 CA VAL A 105 -0.152 -6.853 1.845 1.00 0.00 C ATOM 1532 C VAL A 105 -0.456 -8.349 1.745 1.00 0.00 C ATOM 1533 O VAL A 105 -1.464 -8.817 2.273 1.00 0.00 O ATOM 1534 CB VAL A 105 1.297 -6.562 2.237 1.00 0.00 C ATOM 1535 CG1 VAL A 105 1.607 -5.067 2.121 1.00 0.00 C ATOM 1536 CG2 VAL A 105 1.599 -7.077 3.646 1.00 0.00 C ATOM 0 H VAL A 105 -0.845 -6.442 3.780 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.299 -6.425 0.853 1.00 0.00 H new ATOM 0 HB VAL A 105 1.945 -7.094 1.541 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.644 -4.887 2.405 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.451 -4.742 1.092 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.947 -4.506 2.783 1.00 0.00 H new ATOM 0 HG21 VAL A 105 2.636 -6.857 3.899 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.939 -6.587 4.362 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.438 -8.154 3.682 1.00 0.00 H new ATOM 1546 N ARG A 106 0.435 -9.058 1.067 1.00 0.00 N ATOM 1547 CA ARG A 106 0.274 -10.491 0.893 1.00 0.00 C ATOM 1548 C ARG A 106 1.628 -11.194 1.007 1.00 0.00 C ATOM 1549 O ARG A 106 2.512 -10.986 0.177 1.00 0.00 O ATOM 1550 CB ARG A 106 -0.347 -10.814 -0.467 1.00 0.00 C ATOM 1551 CG ARG A 106 -0.346 -12.322 -0.726 1.00 0.00 C ATOM 1552 CD ARG A 106 0.220 -12.640 -2.111 1.00 0.00 C ATOM 1553 NE ARG A 106 1.391 -11.778 -2.391 1.00 0.00 N ATOM 1554 CZ ARG A 106 1.658 -11.239 -3.588 1.00 0.00 C ATOM 1555 NH1 ARG A 106 0.842 -11.470 -4.625 1.00 0.00 N ATOM 1556 NH2 ARG A 106 2.744 -10.470 -3.749 1.00 0.00 N ATOM 0 H ARG A 106 1.270 -8.666 0.632 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.393 -10.848 1.678 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.369 -10.436 -0.503 1.00 0.00 H new ATOM 0 HB3 ARG A 106 0.209 -10.306 -1.255 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.247 -12.825 0.037 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.362 -12.709 -0.647 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.510 -13.689 -2.162 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.546 -12.484 -2.870 1.00 0.00 H new ATOM 0 HE ARG A 106 2.035 -11.582 -1.624 1.00 0.00 H new ATOM 0 HH11 ARG A 106 0.017 -12.057 -4.504 1.00 0.00 H new ATOM 0 HH12 ARG A 106 1.046 -11.059 -5.536 1.00 0.00 H new ATOM 0 HH21 ARG A 106 3.367 -10.295 -2.960 1.00 0.00 H new ATOM 0 HH22 ARG A 106 2.948 -10.059 -4.660 1.00 0.00 H new ATOM 1570 N LEU A 107 1.749 -12.011 2.044 1.00 0.00 N ATOM 1571 CA LEU A 107 2.980 -12.746 2.278 1.00 0.00 C ATOM 1572 C LEU A 107 3.285 -13.622 1.061 1.00 0.00 C ATOM 1573 O LEU A 107 4.235 -13.360 0.326 1.00 0.00 O ATOM 1574 CB LEU A 107 2.897 -13.525 3.592 1.00 0.00 C ATOM 1575 CG LEU A 107 2.182 -12.820 4.747 1.00 0.00 C ATOM 1576 CD1 LEU A 107 2.388 -13.574 6.062 1.00 0.00 C ATOM 1577 CD2 LEU A 107 2.619 -11.357 4.850 1.00 0.00 C ATOM 0 H LEU A 107 1.014 -12.180 2.731 1.00 0.00 H new ATOM 0 HA LEU A 107 3.818 -12.059 2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 107 2.389 -14.470 3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.910 -13.767 3.912 1.00 0.00 H new ATOM 0 HG LEU A 107 1.112 -12.823 4.539 1.00 0.00 H new ATOM 0 HD11 LEU A 107 1.870 -13.052 6.866 1.00 0.00 H new ATOM 0 HD12 LEU A 107 1.989 -14.584 5.969 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.453 -13.624 6.290 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.096 -10.879 5.678 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.694 -11.310 5.023 1.00 0.00 H new ATOM 0 HD23 LEU A 107 2.378 -10.839 3.922 1.00 0.00 H new ATOM 1589 N ASP A 108 2.462 -14.646 0.888 1.00 0.00 N ATOM 1590 CA ASP A 108 2.632 -15.562 -0.227 1.00 0.00 C ATOM 1591 C ASP A 108 2.959 -14.765 -1.491 1.00 0.00 C ATOM 1592 O ASP A 108 2.859 -13.539 -1.499 1.00 0.00 O ATOM 1593 CB ASP A 108 1.351 -16.357 -0.487 1.00 0.00 C ATOM 1594 CG ASP A 108 1.426 -17.339 -1.658 1.00 0.00 C ATOM 1595 OD1 ASP A 108 2.251 -18.273 -1.564 1.00 0.00 O ATOM 1596 OD2 ASP A 108 0.656 -17.132 -2.621 1.00 0.00 O ATOM 0 H ASP A 108 1.676 -14.861 1.501 1.00 0.00 H new ATOM 0 HA ASP A 108 3.439 -16.251 0.022 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.095 -16.911 0.416 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.537 -15.656 -0.672 1.00 0.00 H new ATOM 1601 N LEU A 109 3.343 -15.494 -2.528 1.00 0.00 N ATOM 1602 CA LEU A 109 3.685 -14.871 -3.796 1.00 0.00 C ATOM 1603 C LEU A 109 5.085 -14.261 -3.698 1.00 0.00 C ATOM 1604 O LEU A 109 5.820 -14.535 -2.750 1.00 0.00 O ATOM 1605 CB LEU A 109 2.605 -13.868 -4.208 1.00 0.00 C ATOM 1606 CG LEU A 109 1.772 -14.247 -5.435 1.00 0.00 C ATOM 1607 CD1 LEU A 109 2.356 -13.629 -6.706 1.00 0.00 C ATOM 1608 CD2 LEU A 109 1.625 -15.766 -5.550 1.00 0.00 C ATOM 0 H LEU A 109 3.425 -16.511 -2.517 1.00 0.00 H new ATOM 0 HA LEU A 109 3.716 -15.616 -4.591 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.929 -13.725 -3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.083 -12.908 -4.400 1.00 0.00 H new ATOM 0 HG LEU A 109 0.770 -13.836 -5.309 1.00 0.00 H new ATOM 0 HD11 LEU A 109 1.745 -13.914 -7.563 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.365 -12.543 -6.612 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.375 -13.989 -6.851 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.029 -16.008 -6.430 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.611 -16.221 -5.643 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.130 -16.152 -4.659 1.00 0.00 H new ATOM 1620 N ASN A 110 5.411 -13.445 -4.690 1.00 0.00 N ATOM 1621 CA ASN A 110 6.709 -12.794 -4.728 1.00 0.00 C ATOM 1622 C ASN A 110 6.879 -12.082 -6.071 1.00 0.00 C ATOM 1623 O ASN A 110 7.324 -12.687 -7.046 1.00 0.00 O ATOM 1624 CB ASN A 110 7.841 -13.814 -4.586 1.00 0.00 C ATOM 1625 CG ASN A 110 8.612 -13.601 -3.283 1.00 0.00 C ATOM 1626 OD1 ASN A 110 8.669 -12.511 -2.736 1.00 0.00 O ATOM 1627 ND2 ASN A 110 9.202 -14.698 -2.816 1.00 0.00 N ATOM 0 H ASN A 110 4.798 -13.220 -5.474 1.00 0.00 H new ATOM 0 HA ASN A 110 6.756 -12.086 -3.900 1.00 0.00 H new ATOM 0 HB2 ASN A 110 7.430 -14.823 -4.609 1.00 0.00 H new ATOM 0 HB3 ASN A 110 8.521 -13.728 -5.433 1.00 0.00 H new ATOM 0 HD21 ASN A 110 9.741 -14.658 -1.951 1.00 0.00 H new ATOM 0 HD22 ASN A 110 9.115 -15.579 -3.323 1.00 0.00 H new ATOM 1634 N MET A 111 6.517 -10.809 -6.079 1.00 0.00 N ATOM 1635 CA MET A 111 6.624 -10.007 -7.287 1.00 0.00 C ATOM 1636 C MET A 111 8.062 -9.529 -7.502 1.00 0.00 C ATOM 1637 O MET A 111 8.684 -8.991 -6.588 1.00 0.00 O ATOM 1638 CB MET A 111 5.694 -8.797 -7.182 1.00 0.00 C ATOM 1639 CG MET A 111 4.227 -9.231 -7.198 1.00 0.00 C ATOM 1640 SD MET A 111 3.462 -8.743 -8.734 1.00 0.00 S ATOM 1641 CE MET A 111 2.634 -7.252 -8.209 1.00 0.00 C ATOM 0 H MET A 111 6.149 -10.312 -5.268 1.00 0.00 H new ATOM 0 HA MET A 111 6.335 -10.625 -8.137 1.00 0.00 H new ATOM 0 HB2 MET A 111 5.905 -8.250 -6.263 1.00 0.00 H new ATOM 0 HB3 MET A 111 5.884 -8.114 -8.010 1.00 0.00 H new ATOM 0 HG2 MET A 111 4.158 -10.312 -7.075 1.00 0.00 H new ATOM 0 HG3 MET A 111 3.697 -8.780 -6.359 1.00 0.00 H new ATOM 0 HE1 MET A 111 2.117 -6.805 -9.058 1.00 0.00 H new ATOM 0 HE2 MET A 111 1.911 -7.492 -7.429 1.00 0.00 H new ATOM 0 HE3 MET A 111 3.368 -6.547 -7.819 1.00 0.00 H new